2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid

C15H16N2O3S — CID 62844073

IUPAC2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
SMILESCC(NC(=O)Nc1ccc(CC(=O)O)cc1)c1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10(12-6-7-21-9-12)16-15(20)17-13-4-2-11(3-5-13)8-14(18)19/h2-7,9-10H,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGUKYXNMSFJTAFY-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.26
Rot. Bonds5

About 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid

2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid (PubChem CID 62844073) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
PubChem CID62844073
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
SMILESCC(NC(=O)Nc1ccc(CC(=O)O)cc1)c1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10(12-6-7-21-9-12)16-15(20)17-13-4-2-11(3-5-13)8-14(18)19/h2-7,9-10H,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGUKYXNMSFJTAFY-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(1-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 62842850
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 104829403
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
CID 62844444
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid (CID 62844073) is 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid is CC(NC(=O)Nc1ccc(CC(=O)O)cc1)c1ccsc1.
What is the InChIKey of 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is GUKYXNMSFJTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(12-6-7-21-9-12)16-15(20)17-13-4-2-11(3-5-13)8-14(18)19/h2-7,9-10H,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid?
2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).