2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide

C30H28N2O2S — CID 3950868

IUPAC2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H28N2O2S/c1-21-12-18-26(19-13-21)35-20-23-14-16-25(17-15-23)29(33)32-28-11-7-6-10-27(28)30(34)31-22(2)24-8-4-3-5-9-24/h3-19,22H,20H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyGNSAYCVPOWZYBE-UHFFFAOYSA-N
MW480.63 g/mol
LogP7.03
Rot. Bonds8

About 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide

2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 3950868) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID3950868
Molecular FormulaC30H28N2O2S
Molecular Weight480.63 g/mol
Exact Mass480.19
IUPAC Name2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H28N2O2S/c1-21-12-18-26(19-13-21)35-20-23-14-16-25(17-15-23)29(33)32-28-11-7-6-10-27(28)30(34)31-22(2)24-8-4-3-5-9-24/h3-19,22H,20H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyGNSAYCVPOWZYBE-UHFFFAOYSA-N
XLogP7.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 100585086
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570140
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide (CID 3950868) is 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is GNSAYCVPOWZYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-21-12-18-26(19-13-21)35-20-23-14-16-25(17-15-23)29(33)32-28-11-7-6-10-27(28)30(34)31-22(2)24-8-4-3-5-9-24/h3-19,22H,20H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide?
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 480.63 g/mol, XLogP of 7.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 3950868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).