4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid

C14H20N2O5S — CID 119204515

IUPAC4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-14(2,7-6-12(17)18)16-13(19)11-5-3-4-10(8-11)9-22(15,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyXTZFHYRNTJPWFW-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.85
Rot. Bonds7

About 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid

4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid (PubChem CID 119204515) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
PubChem CID119204515
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-14(2,7-6-12(17)18)16-13(19)11-5-3-4-10(8-11)9-22(15,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyXTZFHYRNTJPWFW-UHFFFAOYSA-N
XLogP0.85
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[[3-(carbamoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119357561
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-methyl-4-[(3-nitrobenzoyl)amino]pentanoic acid
CID 62043921
2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
CID 119225711
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid (CID 119204515) is 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccc(CS(N)(=O)=O)c1.
What is the InChIKey of 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
The InChIKey is XTZFHYRNTJPWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-14(2,7-6-12(17)18)16-13(19)11-5-3-4-10(8-11)9-22(15,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21).
What are the key properties of 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid?
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid has a molecular weight of 328.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119204515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).