2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

C13H18N4O3S — CID 61369726

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O3S/c1-8(2)17(3)12(18)7-21(19,20)13-15-10-5-4-9(14)6-11(10)16-13/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyQUBLXVDDSSPGMZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.79
Rot. Bonds4

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 61369726) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID61369726
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O3S/c1-8(2)17(3)12(18)7-21(19,20)13-15-10-5-4-9(14)6-11(10)16-13/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyQUBLXVDDSSPGMZ-UHFFFAOYSA-N
XLogP0.79
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-N-methylacetamide
CID 61489004
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-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367241
2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367807
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-1-pyrrolidin-1-ylethanone
CID 61368965
2-(3,3-dimethylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 61481241
2-(cyclopropylmethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368397
2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfonyl]-N,N-di(propan-2-yl)acetamide
CID 171443089
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
2-[(4-iodophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 65477729

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide (CID 61369726) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is QUBLXVDDSSPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8(2)17(3)12(18)7-21(19,20)13-15-10-5-4-9(14)6-11(10)16-13/h4-6,8H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 310.38 g/mol, XLogP of 0.79, 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61369726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).