propyl 4-(thiophen-2-ylsulfonylamino)benzoate

C14H15NO4S2 — CID 646875

IUPACpropyl 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO4S2/c1-2-9-19-14(16)11-5-7-12(8-6-11)15-21(17,18)13-4-3-10-20-13/h3-8,10,15H,2,9H2,1H3
InChIKeyNFJYXJJQOJBFTD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds6

About propyl 4-(thiophen-2-ylsulfonylamino)benzoate

propyl 4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 646875) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is propyl 4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID646875
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namepropyl 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO4S2/c1-2-9-19-14(16)11-5-7-12(8-6-11)15-21(17,18)13-4-3-10-20-13/h3-8,10,15H,2,9H2,1H3
InChIKeyNFJYXJJQOJBFTD-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-(thiophen-2-ylsulfonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
7151-77-1
CID 250654
N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)thiophene-2-sulfonamide
CID 713179
Propyl 4-{[3-(2-thienyl)acryloyl]amino}benzoate
CID 2166331
Methyl 4-{3-[(5-bromothiophen-2-YL)sulfonyl]propanamido}benzoate
CID 9551133
ethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2329433
3-Methanesulfonyl-4-(3-methyl-benzo[b]thiophene-2-sulfonylamino)-benzoic acid methyl ester
CID 12045140
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid propyl ester
CID 2273311
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
Methyl 4-ethanesulfonamidobenzoate
CID 896859
4-(Toluene-4-sulfonylamino)-benzoic acid methyl ester
CID 792726
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172

Frequently Asked Questions

What is the IUPAC name of propyl 4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of propyl 4-(thiophen-2-ylsulfonylamino)benzoate (CID 646875) is propyl 4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for propyl 4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for propyl 4-(thiophen-2-ylsulfonylamino)benzoate is CCCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of propyl 4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is NFJYXJJQOJBFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-2-9-19-14(16)11-5-7-12(8-6-11)15-21(17,18)13-4-3-10-20-13/h3-8,10,15H,2,9H2,1H3.
What are the key properties of propyl 4-(thiophen-2-ylsulfonylamino)benzoate?
propyl 4-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 325.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 646875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).