(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide

C18H21NO2S — CID 2635570

IUPAC(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)22-14(3)18(20)19-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyKSVHCZZHXZSVOF-AWEZNQCLSA-N
MW315.44 g/mol
LogP4.43
Rot. Bonds5

About (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide

(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 2635570) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID2635570
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)22-14(3)18(20)19-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyKSVHCZZHXZSVOF-AWEZNQCLSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736878
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
N-(2,5-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316847
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(5-chloro-2-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316839
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2113740
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide (CID 2635570) is (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)c(C)c1.
What is the InChIKey of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is KSVHCZZHXZSVOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)22-14(3)18(20)19-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2635570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).