2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide

C21H19ClN2O2S — CID 2491995

IUPAC2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccs1
InChIInChI=1S/C21H19ClN2O2S/c22-18-11-5-4-10-17(18)21(26)24-19(15-7-2-1-3-8-15)13-20(25)23-14-16-9-6-12-27-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyBARACRNSDZAPGA-IBGZPJMESA-N
MW398.92 g/mol
LogP4.58
Rot. Bonds7

About 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide

2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide (PubChem CID 2491995) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide
PubChem CID2491995
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccs1
InChIInChI=1S/C21H19ClN2O2S/c22-18-11-5-4-10-17(18)21(26)24-19(15-7-2-1-3-8-15)13-20(25)23-14-16-9-6-12-27-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyBARACRNSDZAPGA-IBGZPJMESA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
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N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
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2-chloro-N-[(1R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 51931028
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
2-chloro-N-[3-oxo-1-phenyl-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 55389241
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
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N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
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(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide (CID 2491995) is 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccs1.
What is the InChIKey of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The InChIKey is BARACRNSDZAPGA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c22-18-11-5-4-10-17(18)21(26)24-19(15-7-2-1-3-8-15)13-20(25)23-14-16-9-6-12-27-16/h1-12,19H,13-14H2,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide?
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide has a molecular weight of 398.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 2491995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).