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

C10H11N5O4S — CID 61368394

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H11N5O4S/c11-5-1-2-6-7(3-5)14-10(13-6)20(18,19)4-8(16)15-9(12)17/h1-3H,4,11H2,(H,13,14)(H3,12,15,16,17)
InChIKeyJHCOCQZFLAUNTM-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.89
Rot. Bonds3

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

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide (PubChem CID 61368394) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
PubChem CID61368394
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H11N5O4S/c11-5-1-2-6-7(3-5)14-10(13-6)20(18,19)4-8(16)15-9(12)17/h1-3H,4,11H2,(H,13,14)(H3,12,15,16,17)
InChIKeyJHCOCQZFLAUNTM-UHFFFAOYSA-N
XLogP-0.89
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61369726
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-1-pyrrolidin-1-ylethanone
CID 61368965
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
CID 61489004
2-(cyclopropylmethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368397
2-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341
2-(3,3-dimethylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 61481241
2-[(4-iodophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 65477729
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
2-(2-pyridin-4-ylethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368777
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
2-[(2-chlorophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 61367818
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide (CID 61368394) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide is NC(=O)NC(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide?
The InChIKey is JHCOCQZFLAUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c11-5-1-2-6-7(3-5)14-10(13-6)20(18,19)4-8(16)15-9(12)17/h1-3H,4,11H2,(H,13,14)(H3,12,15,16,17).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide has a molecular weight of 297.30 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide is sourced from PubChem (CID 61368394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).