(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C16H19NOS2 — CID 8734748

IUPAC(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C16H19NOS2/c1-11-6-7-15(12(2)9-11)20-13(3)16(18)17-10-14-5-4-8-19-14/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyRTRFFQRAKAFOIG-ZDUSSCGKSA-N
MW305.47 g/mol
LogP4.16
Rot. Bonds5

About (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 8734748) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID8734748
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C16H19NOS2/c1-11-6-7-15(12(2)9-11)20-13(3)16(18)17-10-14-5-4-8-19-14/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyRTRFFQRAKAFOIG-ZDUSSCGKSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
CID 96526260
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
(2R)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 25336737
(2S)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 136758009
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 18091779
(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 24522191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 8734748) is (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(S[C@@H](C)C(=O)NCc2cccs2)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is RTRFFQRAKAFOIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-11-6-7-15(12(2)9-11)20-13(3)16(18)17-10-14-5-4-8-19-14/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 305.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 8734748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).