N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide

C24H22N2O3S — CID 22777041

IUPACN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-5-3-4-6-22(16)24(29)26-20-11-13-21(14-12-20)30-15-23(28)25-19-9-7-18(8-10-19)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCCTUTKBOUCSQMH-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.18
Rot. Bonds7

About N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide

N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (PubChem CID 22777041) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
PubChem CID22777041
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-5-3-4-6-22(16)24(29)26-20-11-13-21(14-12-20)30-15-23(28)25-19-9-7-18(8-10-19)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCCTUTKBOUCSQMH-UHFFFAOYSA-N
XLogP5.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22780504
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22781193
2-[[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785321
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775889
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
2-[[4-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785292
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906516

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (CID 22777041) is N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is CC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The InChIKey is CCTUTKBOUCSQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-5-3-4-6-22(16)24(29)26-20-11-13-21(14-12-20)30-15-23(28)25-19-9-7-18(8-10-19)17(2)27/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is sourced from PubChem (CID 22777041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).