2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide

C28H24N2O2S — CID 19300010

IUPAC2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H24N2O2S/c1-21-11-8-9-18-26(21)28(32)29-22-12-10-17-25(19-22)33-20-27(31)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19H,20H2,1H3,(H,29,32)
InChIKeyDMDQUBKGBWTJQW-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.70
Rot. Bonds7

About 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide

2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide (PubChem CID 19300010) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
PubChem CID19300010
Molecular FormulaC28H24N2O2S
Molecular Weight452.58 g/mol
Exact Mass452.16
IUPAC Name2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H24N2O2S/c1-21-11-8-9-18-26(21)28(32)29-22-12-10-17-25(19-22)33-20-27(31)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19H,20H2,1H3,(H,29,32)
InChIKeyDMDQUBKGBWTJQW-UHFFFAOYSA-N
XLogP6.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906516
methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18906521
N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906524
2-[[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895638
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
N-[3-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 19298845
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
CID 18894747
N-[(E)-1-(2-fluorophenyl)-3-oxo-3-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19300618
8-[[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897360
ethyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 18911255
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide (CID 19300010) is 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(SCC(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is DMDQUBKGBWTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c1-21-11-8-9-18-26(21)28(32)29-22-12-10-17-25(19-22)33-20-27(31)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19H,20H2,1H3,(H,29,32).
What are the key properties of 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide?
2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19300010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).