N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

C24H24N2O3S — CID 18905866

IUPACN-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O3S/c1-17(24(28)26-21-13-6-7-14-22(21)29-2)30-20-12-8-11-19(16-20)25-23(27)15-18-9-4-3-5-10-18/h3-14,16-17H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWKGUZCAZMNQIIE-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.00
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (PubChem CID 18905866) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
PubChem CID18905866
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O3S/c1-17(24(28)26-21-13-6-7-14-22(21)29-2)30-20-12-8-11-19(16-20)25-23(27)15-18-9-4-3-5-10-18/h3-14,16-17H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWKGUZCAZMNQIIE-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

N-(2,4-dimethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905862
N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905829
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
8-[[3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897310
2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907877
N-(2,4-dimethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316863
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
N-(2,5-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316847
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
N-(4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905849
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
N-(2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316287

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (CID 18905866) is N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is COc1ccccc1NC(=O)C(C)Sc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The InChIKey is WKGUZCAZMNQIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17(24(28)26-21-13-6-7-14-22(21)29-2)30-20-12-8-11-19(16-20)25-23(27)15-18-9-4-3-5-10-18/h3-14,16-17H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
N-(2-methoxyphenyl)-2-[3-[(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-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 18905866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).