N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C26H31N3O5S — CID 55678676

IUPACN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H31N3O5S/c1-3-34-23-10-8-18(16-24(23)35(31,32)29-11-13-33-14-12-29)27-26(30)20-6-4-5-19-21-15-17(2)7-9-22(21)28-25(19)20/h4-6,8,10,16-17,28H,3,7,9,11-15H2,1-2H3,(H,27,30)
InChIKeyLKWQSKCZKAFRIA-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.96
Rot. Bonds6

About N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 55678676) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID55678676
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H31N3O5S/c1-3-34-23-10-8-18(16-24(23)35(31,32)29-11-13-33-14-12-29)27-26(30)20-6-4-5-19-21-15-17(2)7-9-22(21)28-25(19)20/h4-6,8,10,16-17,28H,3,7,9,11-15H2,1-2H3,(H,27,30)
InChIKeyLKWQSKCZKAFRIA-UHFFFAOYSA-N
XLogP3.96
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55395846
(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41236905
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 55678676) is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CCOc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCC(C)C4)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is LKWQSKCZKAFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-3-34-23-10-8-18(16-24(23)35(31,32)29-11-13-33-14-12-29)27-26(30)20-6-4-5-19-21-15-17(2)7-9-22(21)28-25(19)20/h4-6,8,10,16-17,28H,3,7,9,11-15H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 55678676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).