N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

C26H27N3O4S — CID 121251222

IUPACN-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)NS(=O)(=O)c1cccc(N)c1)n2Cc1c(C)cc(C)cc1C
InChIInChI=1S/C26H27N3O4S/c1-16-11-17(2)22(18(3)12-16)15-29-23-9-6-10-25(33-4)21(23)14-24(29)26(30)28-34(31,32)20-8-5-7-19(27)13-20/h5-14H,15,27H2,1-4H3,(H,28,30)
InChIKeyOSRWOGAGAAKRTO-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.32
Rot. Bonds6

About N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (PubChem CID 121251222) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
PubChem CID121251222
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)NS(=O)(=O)c1cccc(N)c1)n2Cc1c(C)cc(C)cc1C
InChIInChI=1S/C26H27N3O4S/c1-16-11-17(2)22(18(3)12-16)15-29-23-9-6-10-25(33-4)21(23)14-24(29)26(30)28-34(31,32)20-8-5-7-19(27)13-20/h5-14H,15,27H2,1-4H3,(H,28,30)
InChIKeyOSRWOGAGAAKRTO-UHFFFAOYSA-N
XLogP4.32
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251851
N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251964
N-(benzenesulfonyl)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121252418
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252002
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
CID 174891130
3-tert-butyl-N-[(3-methoxy-2-pyridinyl)sulfonyl]-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121251673
2-(3-methoxyphenyl)sulfonyl-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
CID 158019812
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562
N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121253137
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(4-fluoro-2-methoxyphenyl)pyrazole-5-carboxamide
CID 121253642

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (CID 121251222) is N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is COc1cccc2c1cc(C(=O)NS(=O)(=O)c1cccc(N)c1)n2Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The InChIKey is OSRWOGAGAAKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-16-11-17(2)22(18(3)12-16)15-29-23-9-6-10-25(33-4)21(23)14-24(29)26(30)28-34(31,32)20-8-5-7-19(27)13-20/h5-14H,15,27H2,1-4H3,(H,28,30).
What are the key properties of N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 121251222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).