2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide

C11H16N4O4S — CID 60851728

IUPAC2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C11H16N4O4S/c1-14-20(18,19)8-4-2-7(3-5-8)15-11(17)9(12)6-10(13)16/h2-5,9,14H,6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyGNKSJBNTEYGEDH-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.26
Rot. Bonds6

About 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide

2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide (PubChem CID 60851728) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
PubChem CID60851728
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1
InChIInChI=1S/C11H16N4O4S/c1-14-20(18,19)8-4-2-7(3-5-8)15-11(17)9(12)6-10(13)16/h2-5,9,14H,6,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyGNKSJBNTEYGEDH-UHFFFAOYSA-N
XLogP-1.26
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide (CID 60851728) is 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide is CNS(=O)(=O)c1ccc(NC(=O)C(N)CC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide?
The InChIKey is GNKSJBNTEYGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-14-20(18,19)8-4-2-7(3-5-8)15-11(17)9(12)6-10(13)16/h2-5,9,14H,6,12H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide?
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide has a molecular weight of 300.34 g/mol, XLogP of -1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide is sourced from PubChem (CID 60851728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).