2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid

C14H13ClN2O3S — CID 106039956

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid
SMILESO=C(NCCc1ccc(Cl)s1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H13ClN2O3S/c15-12-6-5-9(21-12)7-8-16-14(20)17-11-4-2-1-3-10(11)13(18)19/h1-6H,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyHONYSLCFIDMADT-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.46
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid

2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid (PubChem CID 106039956) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid
PubChem CID106039956
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid
SMILESO=C(NCCc1ccc(Cl)s1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H13ClN2O3S/c15-12-6-5-9(21-12)7-8-16-14(20)17-11-4-2-1-3-10(11)13(18)19/h1-6H,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyHONYSLCFIDMADT-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-[2-(2-methylprop-2-enoylamino)ethylcarbamoylamino]benzoic acid
CID 20608041
2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
2-[3-[(5-chlorothiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 138042604
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid (CID 106039956) is 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid is O=C(NCCc1ccc(Cl)s1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid?
The InChIKey is HONYSLCFIDMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-12-6-5-9(21-12)7-8-16-14(20)17-11-4-2-1-3-10(11)13(18)19/h1-6H,7-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid?
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid has a molecular weight of 324.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 106039956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).