5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid

C10H14N2O5S2 — CID 119235236

IUPAC5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
SMILESNS(=O)(=O)c1cc(C(=O)NCCCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O5S2/c11-19(16,17)9-5-7(6-18-9)10(15)12-4-2-1-3-8(13)14/h5-6H,1-4H2,(H,12,15)(H,13,14)(H2,11,16,17)
InChIKeyRTRAJAPFLANALX-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.38
Rot. Bonds7

About 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid

5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid (PubChem CID 119235236) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
PubChem CID119235236
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
SMILESNS(=O)(=O)c1cc(C(=O)NCCCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O5S2/c11-19(16,17)9-5-7(6-18-9)10(15)12-4-2-1-3-8(13)14/h5-6H,1-4H2,(H,12,15)(H,13,14)(H2,11,16,17)
InChIKeyRTRAJAPFLANALX-UHFFFAOYSA-N
XLogP0.38
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-methylsulfonylthiophene-3-carbonyl)amino]octanoic acid
CID 120689510
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
CID 56804960
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
CID 119235149
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268

Frequently Asked Questions

What is the IUPAC name of 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid (CID 119235236) is 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid is NS(=O)(=O)c1cc(C(=O)NCCCCC(=O)O)cs1.
What is the InChIKey of 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
The InChIKey is RTRAJAPFLANALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c11-19(16,17)9-5-7(6-18-9)10(15)12-4-2-1-3-8(13)14/h5-6H,1-4H2,(H,12,15)(H,13,14)(H2,11,16,17).
What are the key properties of 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid?
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid has a molecular weight of 306.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119235236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).