4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C29H26N2O3S — CID 18903762

IUPAC4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccccc3C)c3ccccc3)c2)cc1
InChIInChI=1S/C29H26N2O3S/c1-20-9-6-7-14-26(20)31-29(33)27(21-10-4-3-5-11-21)35-25-13-8-12-23(19-25)30-28(32)22-15-17-24(34-2)18-16-22/h3-19,27H,1-2H3,(H,30,32)(H,31,33)
InChIKeyKJHSVVBAQHYJQM-UHFFFAOYSA-N
MW482.61 g/mol
LogP6.73
Rot. Bonds8

About 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18903762) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
PubChem CID18903762
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC Name4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccccc3C)c3ccccc3)c2)cc1
InChIInChI=1S/C29H26N2O3S/c1-20-9-6-7-14-26(20)31-29(33)27(21-10-4-3-5-11-21)35-25-13-8-12-23(19-25)30-28(32)22-15-17-24(34-2)18-16-22/h3-19,27H,1-2H3,(H,30,32)(H,31,33)
InChIKeyKJHSVVBAQHYJQM-UHFFFAOYSA-N
XLogP6.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907218
4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904338
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
N-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903753
N-[4-[2-(2,3-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23099724
4-methoxy-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903690
N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903470
4-methoxy-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18912987
N-[3-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903796
N-[3-[2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902911
N-[3-[2-(2,4-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906942
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903460

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18903762) is 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is COc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccccc3C)c3ccccc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The InChIKey is KJHSVVBAQHYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-20-9-6-7-14-26(20)31-29(33)27(21-10-4-3-5-11-21)35-25-13-8-12-23(19-25)30-28(32)22-15-17-24(34-2)18-16-22/h3-19,27H,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 6.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18903762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).