3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid

C17H24N2O5S — CID 119191474

IUPAC3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-2-19(11-10-16(20)21)17(22)13-6-5-9-15(12-13)25(23,24)18-14-7-3-4-8-14/h5-6,9,12,14,18H,2-4,7-8,10-11H2,1H3,(H,20,21)
InChIKeyYHHPAEJEXRLTBX-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.84
Rot. Bonds8

About 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid

3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid (PubChem CID 119191474) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
PubChem CID119191474
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-2-19(11-10-16(20)21)17(22)13-6-5-9-15(12-13)25(23,24)18-14-7-3-4-8-14/h5-6,9,12,14,18H,2-4,7-8,10-11H2,1H3,(H,20,21)
InChIKeyYHHPAEJEXRLTBX-UHFFFAOYSA-N
XLogP1.84
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]-ethylamino]propanoic acid
CID 120685984
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55359807
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid (CID 119191474) is 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid?
The InChIKey is YHHPAEJEXRLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-19(11-10-16(20)21)17(22)13-6-5-9-15(12-13)25(23,24)18-14-7-3-4-8-14/h5-6,9,12,14,18H,2-4,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid?
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid is sourced from PubChem (CID 119191474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).