N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

C18H20N4O2S — CID 53199804

IUPACN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c1-3-11(2)15(21-16(23)14-9-6-10-25-14)17(24)22-18-19-12-7-4-5-8-13(12)20-18/h4-11,15H,3H2,1-2H3,(H,21,23)(H2,19,20,22,24)
InChIKeyCEEBUEXMBJZWJH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide (PubChem CID 53199804) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
PubChem CID53199804
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c1-3-11(2)15(21-16(23)14-9-6-10-25-14)17(24)22-18-19-12-7-4-5-8-13(12)20-18/h4-11,15H,3H2,1-2H3,(H,21,23)(H2,19,20,22,24)
InChIKeyCEEBUEXMBJZWJH-UHFFFAOYSA-N
XLogP3.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-3-chloro-4-fluorobenzamide
CID 53199813
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173
N-(1H-benzimidazol-2-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199807
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41078842
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide (CID 53199804) is N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide is CCC(C)C(NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
The InChIKey is CEEBUEXMBJZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-11(2)15(21-16(23)14-9-6-10-25-14)17(24)22-18-19-12-7-4-5-8-13(12)20-18/h4-11,15H,3H2,1-2H3,(H,21,23)(H2,19,20,22,24).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide?
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.41, 6 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-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53199804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).