4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid

C14H13ClN2O3S — CID 61475929

IUPAC4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
SMILESO=C(NCCc1ccsc1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H13ClN2O3S/c15-11-2-1-10(13(18)19)7-12(11)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyUOYPOTGGDGPJLF-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid

4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid (PubChem CID 61475929) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
PubChem CID61475929
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
SMILESO=C(NCCc1ccsc1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H13ClN2O3S/c15-11-2-1-10(13(18)19)7-12(11)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyUOYPOTGGDGPJLF-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

4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 61475728
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158090
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide
CID 48798148
methyl 4-chloro-3-(3-thiophen-3-ylpropanoylamino)benzoate
CID 39952261
4-chloro-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)benzoic acid
CID 106294951
4-chloro-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]benzoic acid
CID 62635155
4-chloro-3-(3-propoxypropylcarbamoylamino)benzoic acid
CID 82939864
2-bromo-5-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 115296801
methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
5-chloro-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244723
3-(tert-butylcarbamoylamino)-4-chlorobenzoic acid
CID 28786246

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The IUPAC name of 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid (CID 61475929) is 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid is O=C(NCCc1ccsc1)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The InChIKey is UOYPOTGGDGPJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-11-2-1-10(13(18)19)7-12(11)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)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 4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61475929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).