N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C22H19ClN4O2S — CID 55826865

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19ClN4O2S/c1-12-11-18(27-21(28)14-7-3-4-8-15(14)23)30-19(12)22(29)24-13(2)20-25-16-9-5-6-10-17(16)26-20/h3-11,13H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyFKCKTVDPXMBTGL-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.33
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 55826865) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID55826865
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19ClN4O2S/c1-12-11-18(27-21(28)14-7-3-4-8-15(14)23)30-19(12)22(29)24-13(2)20-25-16-9-5-6-10-17(16)26-20/h3-11,13H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyFKCKTVDPXMBTGL-UHFFFAOYSA-N
XLogP5.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 18270178
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 25347911
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78887382
5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
CID 55832112
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 55826865) is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is FKCKTVDPXMBTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-12-11-18(27-21(28)14-7-3-4-8-15(14)23)30-19(12)22(29)24-13(2)20-25-16-9-5-6-10-17(16)26-20/h3-11,13H,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 438.94 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55826865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).