(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

C19H23NOS — CID 8734713

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C19H23NOS/c1-12-7-9-18(15(4)10-12)22-16(5)19(21)20-17-11-13(2)6-8-14(17)3/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyQDQDZXBSDMRRHP-INIZCTEOSA-N
MW313.47 g/mol
LogP5.04
Rot. Bonds4

About (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 8734713) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID8734713
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C19H23NOS/c1-12-7-9-18(15(4)10-12)22-16(5)19(21)20-17-11-13(2)6-8-14(17)3/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyQDQDZXBSDMRRHP-INIZCTEOSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 8734713) is (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is QDQDZXBSDMRRHP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NOS/c1-12-7-9-18(15(4)10-12)22-16(5)19(21)20-17-11-13(2)6-8-14(17)3/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 313.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 8734713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).