N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide

C24H24N2O3S — CID 18906732

IUPACN-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-16-6-4-7-18(14-16)24(28)26-20-8-5-9-22(15-20)30-17(2)23(27)25-19-10-12-21(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMSQDMRAFEDCNHI-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.38
Rot. Bonds7

About N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide

N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide (PubChem CID 18906732) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
PubChem CID18906732
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-16-6-4-7-18(14-16)24(28)26-20-8-5-9-22(15-20)30-17(2)23(27)25-19-10-12-21(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMSQDMRAFEDCNHI-UHFFFAOYSA-N
XLogP5.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903294
N-[3-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903542
4-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903290
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903534
N-[4-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22775346
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
3-methoxy-N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 18903236
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095316
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 22780100
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903277

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide (CID 18906732) is N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide is COc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)c3cccc(C)c3)c2)cc1.
What is the InChIKey of N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The InChIKey is MSQDMRAFEDCNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-16-6-4-7-18(14-16)24(28)26-20-8-5-9-22(15-20)30-17(2)23(27)25-19-10-12-21(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide has a molecular weight of 420.53 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide is sourced from PubChem (CID 18906732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).