2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide

C15H15ClN2O2S — CID 2551480

IUPAC2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C15H15ClN2O2S/c1-10(14(19)17-9-11-5-4-8-21-11)18-15(20)12-6-2-3-7-13(12)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyFPJVLEGPEPNPIR-JTQLQIEISA-N
MW322.82 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide

2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide (PubChem CID 2551480) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
PubChem CID2551480
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C15H15ClN2O2S/c1-10(14(19)17-9-11-5-4-8-21-11)18-15(20)12-6-2-3-7-13(12)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyFPJVLEGPEPNPIR-JTQLQIEISA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide
CID 4266221
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide (CID 2551480) is 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccs1.
What is the InChIKey of 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide?
The InChIKey is FPJVLEGPEPNPIR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(14(19)17-9-11-5-4-8-21-11)18-15(20)12-6-2-3-7-13(12)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide?
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide has a molecular weight of 322.82 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 2551480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).