N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C78H112N8O15S2 — CID 87620324

IUPACN-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(C)O)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
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;1-4-29(17-26(32)28-16-18(3)31)27(33)21-7-9-25-23(15-21)22-14-20(19-10-12-36-13-11-19)6-8-24(22)30(25)37(34,35)5-2;1-4-26(15-16(2)27)24(28)19-6-8-23-21(14-19)20-13-18(5-7-22(20)25(23)3)17-9-11-29-12-10-17/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);7,9,15,18-20,31H,4-6,8,10-14,16-17H2,1-3H3,(H,28,32);6,8,14,16-18,27H,4-5,7,9-13,15H2,1-3H3
InChIKeyPNLJGNZULCDQAO-UHFFFAOYSA-N
MW1465.93 g/mol
LogP8.48
Rot. Bonds24

About N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 87620324) has the molecular formula C78H112N8O15S2 and a molecular weight of 1465.93 g/mol. Its IUPAC name is N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID87620324
Molecular FormulaC78H112N8O15S2
Molecular Weight1465.93 g/mol
Exact Mass1464.77
IUPAC NameN-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(C)O)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
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;1-4-29(17-26(32)28-16-18(3)31)27(33)21-7-9-25-23(15-21)22-14-20(19-10-12-36-13-11-19)6-8-24(22)30(25)37(34,35)5-2;1-4-26(15-16(2)27)24(28)19-6-8-23-21(14-19)20-13-18(5-7-22(20)25(23)3)17-9-11-29-12-10-17/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);7,9,15,18-20,31H,4-6,8,10-14,16-17H2,1-3H3,(H,28,32);6,8,14,16-18,27H,4-5,7,9-13,15H2,1-3H3
InChIKeyPNLJGNZULCDQAO-UHFFFAOYSA-N
XLogP8.48
TPSA279.58 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.93
LogP ≤ 58.48
H-Bond Donors ≤ 54
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 N-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;N-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 N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 87620324) is N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)NCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(C)O)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1.
What is the InChIKey of N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is PNLJGNZULCDQAO-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;1-4-29(17-26(32)28-16-18(3)31)27(33)21-7-9-25-23(15-21)22-14-20(19-10-12-36-13-11-19)6-8-24(22)30(25)37(34,35)5-2;1-4-26(15-16(2)27)24(28)19-6-8-23-21(14-19)20-13-18(5-7-22(20)25(23)3)17-9-11-29-12-10-17/h7,9,17,19-20H,4-6,8,10-16,18H2,1-3H3,(H,28,31);7,9,15,18-20,31H,4-6,8,10-14,16-17H2,1-3H3,(H,28,32);6,8,14,16-18,27H,4-5,7,9-13,15H2,1-3H3.
What are the key properties of N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-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;N-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 8.48, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-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;N-ethyl-N-(2-hydroxypropyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 87620324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).