2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C12H16N4O4S — CID 43620690

IUPAC2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H16N4O4S/c1-21(19,20)5-4-8(13)11(17)14-7-2-3-9-10(6-7)16-12(18)15-9/h2-3,6,8H,4-5,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyRBCZZGQMZBMQQK-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.44
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 43620690) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID43620690
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H16N4O4S/c1-21(19,20)5-4-8(13)11(17)14-7-2-3-9-10(6-7)16-12(18)15-9/h2-3,6,8H,4-5,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyRBCZZGQMZBMQQK-UHFFFAOYSA-N
XLogP-0.44
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 81082977
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 43620690) is 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is CS(=O)(=O)CCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is RBCZZGQMZBMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-21(19,20)5-4-8(13)11(17)14-7-2-3-9-10(6-7)16-12(18)15-9/h2-3,6,8H,4-5,13H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 312.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 43620690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).