5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid

C14H20N2O5S — CID 119235149

IUPAC5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
SMILESCc1cc(C(=O)NCCCCC(=O)O)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N2O5S/c1-9-7-11(8-12(10(9)2)22(15,20)21)14(19)16-6-4-3-5-13(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyKRRCJAVPXPZIQN-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.94
Rot. Bonds7

About 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid

5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid (PubChem CID 119235149) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
PubChem CID119235149
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
SMILESCc1cc(C(=O)NCCCCC(=O)O)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N2O5S/c1-9-7-11(8-12(10(9)2)22(15,20)21)14(19)16-6-4-3-5-13(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyKRRCJAVPXPZIQN-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
7-[(4-ethyl-3-methylsulfonylbenzoyl)amino]heptanoic acid
CID 120524109
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid (CID 119235149) is 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid is Cc1cc(C(=O)NCCCCC(=O)O)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid?
The InChIKey is KRRCJAVPXPZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-9-7-11(8-12(10(9)2)22(15,20)21)14(19)16-6-4-3-5-13(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21).
What are the key properties of 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid?
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid has a molecular weight of 328.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119235149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).