1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C78H112N8O15S2 — CID 87327419

IUPAC1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCc1cc(C(=O)NCC(=O)NCC(C)O)cc2c3c(n(S(=O)(=O)CC)c12)CCC(C1CCOCC1)C3.CCc1cc(C(=O)NCC(C)O)cc2c3c(n(C)c12)CCC(C1CCOCC1)C3
InChIInChI=1S/2C27H39N3O6S.C24H34N2O3/c1-4-29(18-26(31)28-12-15-35-3)27(32)21-7-9-25-23(17-21)22-16-20(19-10-13-36-14-11-19)6-8-24(22)30(25)37(33,34)5-2;1-4-18-12-21(27(33)29-16-25(32)28-15-17(3)31)14-23-22-13-20(19-8-10-36-11-9-19)6-7-24(22)30(26(18)23)37(34,35)5-2;1-4-16-11-19(24(28)25-14-15(2)27)13-21-20-12-18(17-7-9-29-10-8-17)5-6-22(20)26(3)23(16)21/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);12,14,17,19-20,31H,4-11,13,15-16H2,1-3H3,(H,28,32)(H,29,33);11,13,15,17-18,27H,4-10,12,14H2,1-3H3,(H,25,28)
InChIKeyCNSGUQKUEMMOLX-UHFFFAOYSA-N
MW1465.93 g/mol
LogP8.14
Rot. Bonds24

About 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 87327419) has the molecular formula C78H112N8O15S2 and a molecular weight of 1465.93 g/mol. Its IUPAC name is 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID87327419
Molecular FormulaC78H112N8O15S2
Molecular Weight1465.93 g/mol
Exact Mass1464.77
IUPAC Name1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCc1cc(C(=O)NCC(=O)NCC(C)O)cc2c3c(n(S(=O)(=O)CC)c12)CCC(C1CCOCC1)C3.CCc1cc(C(=O)NCC(C)O)cc2c3c(n(C)c12)CCC(C1CCOCC1)C3
InChIInChI=1S/2C27H39N3O6S.C24H34N2O3/c1-4-29(18-26(31)28-12-15-35-3)27(32)21-7-9-25-23(17-21)22-16-20(19-10-13-36-14-11-19)6-8-24(22)30(25)37(33,34)5-2;1-4-18-12-21(27(33)29-16-25(32)28-15-17(3)31)14-23-22-13-20(19-8-10-36-11-9-19)6-7-24(22)30(26(18)23)37(34,35)5-2;1-4-16-11-19(24(28)25-14-15(2)27)13-21-20-12-18(17-7-9-29-10-8-17)5-6-22(20)26(3)23(16)21/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);12,14,17,19-20,31H,4-11,13,15-16H2,1-3H3,(H,28,32)(H,29,33);11,13,15,17-18,27H,4-10,12,14H2,1-3H3,(H,25,28)
InChIKeyCNSGUQKUEMMOLX-UHFFFAOYSA-N
XLogP8.14
TPSA297.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.93
LogP ≤ 58.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 87327419) is 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCc1cc(C(=O)NCC(=O)NCC(C)O)cc2c3c(n(S(=O)(=O)CC)c12)CCC(C1CCOCC1)C3.CCc1cc(C(=O)NCC(C)O)cc2c3c(n(C)c12)CCC(C1CCOCC1)C3.
What is the InChIKey of 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is CNSGUQKUEMMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H39N3O6S.C24H34N2O3/c1-4-29(18-26(31)28-12-15-35-3)27(32)21-7-9-25-23(17-21)22-16-20(19-10-13-36-14-11-19)6-8-24(22)30(25)37(33,34)5-2;1-4-18-12-21(27(33)29-16-25(32)28-15-17(3)31)14-23-22-13-20(19-8-10-36-11-9-19)6-7-24(22)30(26(18)23)37(34,35)5-2;1-4-16-11-19(24(28)25-14-15(2)27)13-21-20-12-18(17-7-9-29-10-8-17)5-6-22(20)26(3)23(16)21/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);12,14,17,19-20,31H,4-11,13,15-16H2,1-3H3,(H,28,32)(H,29,33);11,13,15,17-18,27H,4-10,12,14H2,1-3H3,(H,25,28).
What are the key properties of 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 1465.93 g/mol, XLogP of 8.14, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-ethylsulfonyl-N-[2-(2-hydroxypropylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-ethyl-9-ethylsulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;1-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 87327419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).