2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid

C17H25N3O5S — CID 119223258

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)O
InChIInChI=1S/C17H25N3O5S/c1-4-14(17(22)23)18-16(21)13-11-12(26(24,25)19(2)3)7-8-15(13)20-9-5-6-10-20/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyWZUFSPFOIQIQLI-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.13
Rot. Bonds7

About 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid

2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid (PubChem CID 119223258) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
PubChem CID119223258
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)O
InChIInChI=1S/C17H25N3O5S/c1-4-14(17(22)23)18-16(21)13-11-12(26(24,25)19(2)3)7-8-15(13)20-9-5-6-10-20/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyWZUFSPFOIQIQLI-UHFFFAOYSA-N
XLogP1.13
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112762557
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid (CID 119223258) is 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid is CCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid?
The InChIKey is WZUFSPFOIQIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-4-14(17(22)23)18-16(21)13-11-12(26(24,25)19(2)3)7-8-15(13)20-9-5-6-10-20/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid?
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid has a molecular weight of 383.47 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid is sourced from PubChem (CID 119223258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).