(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C18H21NO3S — CID 9398153

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO3S/c1-12-5-8-15(9-6-12)23-13(2)18(20)19-16-10-7-14(21-3)11-17(16)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyVLTHDICAZQPVHZ-CYBMUJFWSA-N
MW331.44 g/mol
LogP4.13
Rot. Bonds6

About (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 9398153) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID9398153
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO3S/c1-12-5-8-15(9-6-12)23-13(2)18(20)19-16-10-7-14(21-3)11-17(16)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyVLTHDICAZQPVHZ-CYBMUJFWSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
N-[4-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23099692
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
N-[4-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 22776672
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 18900966
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316287
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 9398153) is (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is VLTHDICAZQPVHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-5-8-15(9-6-12)23-13(2)18(20)19-16-10-7-14(21-3)11-17(16)22-4/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 9398153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).