N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H15ClN2O2S — CID 51298987

IUPACN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-10(18-15(20)13-7-4-8-21-13)14(19)17-9-11-5-2-3-6-12(11)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVXLVMXSYSIOOKF-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51298987) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51298987
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2S/c1-10(18-15(20)13-7-4-8-21-13)14(19)17-9-11-5-2-3-6-12(11)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVXLVMXSYSIOOKF-UHFFFAOYSA-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-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46599009
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55723714
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)propanoate
CID 46630076
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682542
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51298987) is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is VXLVMXSYSIOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(18-15(20)13-7-4-8-21-13)14(19)17-9-11-5-2-3-6-12(11)16/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide 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 N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51298987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).