N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C28H40N2O6S — CID 58326255

IUPACN-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C28H40N2O6S/c1-4-29(18-23(32)9-6-19(3)31)28(33)22-8-11-27-25(17-22)24-16-21(20-12-14-36-15-13-20)7-10-26(24)30(27)37(34,35)5-2/h8,11,17,19-21,31H,4-7,9-10,12-16,18H2,1-3H3
InChIKeyOIDIGHWKNOEXMG-UHFFFAOYSA-N
MW532.70 g/mol
LogP3.56
Rot. Bonds10

About N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326255) has the molecular formula C28H40N2O6S and a molecular weight of 532.70 g/mol. Its IUPAC name is N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326255
Molecular FormulaC28H40N2O6S
Molecular Weight532.70 g/mol
Exact Mass532.26
IUPAC NameN-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C28H40N2O6S/c1-4-29(18-23(32)9-6-19(3)31)28(33)22-8-11-27-25(17-22)24-16-21(20-12-14-36-15-13-20)7-10-26(24)30(27)37(34,35)5-2/h8,11,17,19-21,31H,4-7,9-10,12-16,18H2,1-3H3
InChIKeyOIDIGHWKNOEXMG-UHFFFAOYSA-N
XLogP3.56
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-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-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326255) is N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)CCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.
What is the InChIKey of N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is OIDIGHWKNOEXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O6S/c1-4-29(18-23(32)9-6-19(3)31)28(33)22-8-11-27-25(17-22)24-16-21(20-12-14-36-15-13-20)7-10-26(24)30(27)37(34,35)5-2/h8,11,17,19-21,31H,4-7,9-10,12-16,18H2,1-3H3.
What are the key properties of N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 532.70 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).