4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide

C28H25N3O4S2 — CID 18907255

IUPAC4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c2)cc1
InChIInChI=1S/C28H25N3O4S2/c1-19-10-12-21(13-11-19)27(32)31-23-8-5-9-24(18-23)36-26(20-6-3-2-4-7-20)28(33)30-22-14-16-25(17-15-22)37(29,34)35/h2-18,26H,1H3,(H,30,33)(H,31,32)(H2,29,34,35)
InChIKeyOJVBXKPRZMEQNS-UHFFFAOYSA-N
MW531.66 g/mol
LogP5.37
Rot. Bonds8

About 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide

4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide (PubChem CID 18907255) has the molecular formula C28H25N3O4S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
PubChem CID18907255
Molecular FormulaC28H25N3O4S2
Molecular Weight531.66 g/mol
Exact Mass531.13
IUPAC Name4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c2)cc1
InChIInChI=1S/C28H25N3O4S2/c1-19-10-12-21(13-11-19)27(32)31-23-8-5-9-24(18-23)36-26(20-6-3-2-4-7-20)28(33)30-22-14-16-25(17-15-22)37(29,34)35/h2-18,26H,1H3,(H,30,33)(H,31,32)(H2,29,34,35)
InChIKeyOJVBXKPRZMEQNS-UHFFFAOYSA-N
XLogP5.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18904951
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
4-methyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907218
3-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 23099709
4-methyl-N-[3-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18907196
4-fluoro-N-[3-[2-(3-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904339
N-[3-[2-(4-acetylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904346
4-methyl-N-[3-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18907195
4-methyl-N-[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide
CID 22782953
N-[3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906951
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904628

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide (CID 18907255) is 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is OJVBXKPRZMEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S2/c1-19-10-12-21(13-11-19)27(32)31-23-8-5-9-24(18-23)36-26(20-6-3-2-4-7-20)28(33)30-22-14-16-25(17-15-22)37(29,34)35/h2-18,26H,1H3,(H,30,33)(H,31,32)(H2,29,34,35).
What are the key properties of 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide?
4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 531.66 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18907255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).