(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide

C15H17ClN2OS — CID 9054773

IUPAC(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccsc1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)9-12-7-8-20-10-12)15(19)17-14-5-3-13(16)4-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyQWAWKZHBFBJWHU-NSHDSACASA-N
MW308.83 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide

(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide (PubChem CID 9054773) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
PubChem CID9054773
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccsc1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)9-12-7-8-20-10-12)15(19)17-14-5-3-13(16)4-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyQWAWKZHBFBJWHU-NSHDSACASA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
CID 2591052
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45352861

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide (CID 9054773) is (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccsc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The InChIKey is QWAWKZHBFBJWHU-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-11(18(2)9-12-7-8-20-10-12)15(19)17-14-5-3-13(16)4-6-14/h3-8,10-11H,9H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide has a molecular weight of 308.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 9054773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).