2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide

C13H16N4O3S — CID 61489004

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1)C1CC1
InChIInChI=1S/C13H16N4O3S/c1-17(9-3-4-9)12(18)7-21(19,20)13-15-10-5-2-8(14)6-11(10)16-13/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16)
InChIKeySBVGKDUEGMNRQX-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.54
Rot. Bonds4

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide (PubChem CID 61489004) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
PubChem CID61489004
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1)C1CC1
InChIInChI=1S/C13H16N4O3S/c1-17(9-3-4-9)12(18)7-21(19,20)13-15-10-5-2-8(14)6-11(10)16-13/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16)
InChIKeySBVGKDUEGMNRQX-UHFFFAOYSA-N
XLogP0.54
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide 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

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61369726
2-(cyclopropylmethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368397
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-1-pyrrolidin-1-ylethanone
CID 61368965
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
CID 61368394
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440
2-(3,3-dimethylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 61481241
2-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341
2-(4-methylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
CID 64775073
2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
CID 63862217
2-[(4-iodophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 65477729
2-(2-pyridin-4-ylethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368777
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide (CID 61489004) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1)C1CC1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is SBVGKDUEGMNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(9-3-4-9)12(18)7-21(19,20)13-15-10-5-2-8(14)6-11(10)16-13/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 308.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 61489004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).