N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide

C18H18N4O2S — CID 166215461

IUPACN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)c1C
InChIInChI=1S/C18H18N4O2S/c1-12-13(2)22(11-20-12)15-7-5-14(6-8-15)21-17(23)10-19-18(24)16-4-3-9-25-16/h3-9,11H,10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyWEQBRWSLRWBICV-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 166215461) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID166215461
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)c1C
InChIInChI=1S/C18H18N4O2S/c1-12-13(2)22(11-20-12)15-7-5-14(6-8-15)21-17(23)10-19-18(24)16-4-3-9-25-16/h3-9,11H,10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyWEQBRWSLRWBICV-UHFFFAOYSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
CID 134010399
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122313392
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide (CID 166215461) is N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ncn(-c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)c1C.
What is the InChIKey of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WEQBRWSLRWBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-13(2)22(11-20-12)15-7-5-14(6-8-15)21-17(23)10-19-18(24)16-4-3-9-25-16/h3-9,11H,10H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 166215461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).