(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C26H31N3O3S — CID 26919628

IUPAC(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(S(=O)(=O)N5CCCCCC5)c4)cc3c2C1
InChIInChI=1S/C26H31N3O3S/c1-18-9-11-24-22(15-18)23-16-19(10-12-25(23)28-24)26(30)27-20-7-6-8-21(17-20)33(31,32)29-13-4-2-3-5-14-29/h6-8,10,12,16-18,28H,2-5,9,11,13-15H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyWVOHKVPCDHUZSX-GOSISDBHSA-N
MW465.62 g/mol
LogP5.11
Rot. Bonds4

About (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 26919628) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID26919628
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(S(=O)(=O)N5CCCCCC5)c4)cc3c2C1
InChIInChI=1S/C26H31N3O3S/c1-18-9-11-24-22(15-18)23-16-19(10-12-25(23)28-24)26(30)27-20-7-6-8-21(17-20)33(31,32)29-13-4-2-3-5-14-29/h6-8,10,12,16-18,28H,2-5,9,11,13-15H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyWVOHKVPCDHUZSX-GOSISDBHSA-N
XLogP5.11
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

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Related Compounds

methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166192033
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 9119789
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31009334
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 26919628) is (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(S(=O)(=O)N5CCCCCC5)c4)cc3c2C1.
What is the InChIKey of (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is WVOHKVPCDHUZSX-GOSISDBHSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-18-9-11-24-22(15-18)23-16-19(10-12-25(23)28-24)26(30)27-20-7-6-8-21(17-20)33(31,32)29-13-4-2-3-5-14-29/h6-8,10,12,16-18,28H,2-5,9,11,13-15H2,1H3,(H,27,30)/t18-/m1/s1.
What are the key properties of (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 26919628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).