N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

C24H24N2O3S — CID 22777404

IUPACN-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(24(28)26-20-8-12-21(29-2)13-9-20)30-22-14-10-19(11-15-22)25-23(27)16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHKCIHKABXGGPRK-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.00
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (PubChem CID 22777404) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
PubChem CID22777404
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(24(28)26-20-8-12-21(29-2)13-9-20)30-22-14-10-19(11-15-22)25-23(27)16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHKCIHKABXGGPRK-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-(2,4-dimethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905862
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28631658

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (CID 22777404) is N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The InChIKey is HKCIHKABXGGPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17(24(28)26-20-8-12-21(29-2)13-9-20)30-22-14-10-19(11-15-22)25-23(27)16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide has a molecular weight of 420.53 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 22777404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).