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

C20H24N4O2S — CID 18270178

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O2S/c1-11-10-15(24-19(26)20(3,4)5)27-16(11)18(25)21-12(2)17-22-13-8-6-7-9-14(13)23-17/h6-10,12H,1-5H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyXHPCOKFNGXETBW-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.41
Rot. Bonds4

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (PubChem CID 18270178) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
PubChem CID18270178
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O2S/c1-11-10-15(24-19(26)20(3,4)5)27-16(11)18(25)21-12(2)17-22-13-8-6-7-9-14(13)23-17/h6-10,12H,1-5H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyXHPCOKFNGXETBW-UHFFFAOYSA-N
XLogP4.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55826865
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18124194
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 25347911
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (CID 18270178) is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is XHPCOKFNGXETBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-11-10-15(24-19(26)20(3,4)5)27-16(11)18(25)21-12(2)17-22-13-8-6-7-9-14(13)23-17/h6-10,12H,1-5H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.41, 4 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-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 18270178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).