N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C15H15ClN2O2S — CID 4788663

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-10-2-7-13(21-10)15(20)18-9-14(19)17-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVLLAROPSIXLNTF-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4788663) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4788663
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-10-2-7-13(21-10)15(20)18-9-14(19)17-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVLLAROPSIXLNTF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
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
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4788663) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is VLLAROPSIXLNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-2-7-13(21-10)15(20)18-9-14(19)17-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).