1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea

C15H16N2O3S2 — CID 110747154

IUPAC1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-10-4-6-11(7-5-10)22(19,20)17-15(18)16-13-9-12(13)14-3-2-8-21-14/h2-8,12-13H,9H2,1H3,(H2,16,17,18)
InChIKeyPZDUKDAXLLTCIS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea

1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea (PubChem CID 110747154) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea
PubChem CID110747154
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-10-4-6-11(7-5-10)22(19,20)17-15(18)16-13-9-12(13)14-3-2-8-21-14/h2-8,12-13H,9H2,1H3,(H2,16,17,18)
InChIKeyPZDUKDAXLLTCIS-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea 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

4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711273
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
5-methyl-N-(2-thiophen-2-ylcyclopropyl)thiophene-2-sulfonamide
CID 110711304
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711248
3-phenyl-N-(2-thiophen-2-ylcyclopropyl)propanamide
CID 110711244
2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110741722
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234
1-benzhydryl-3-(4-methylphenyl)sulfonylurea
CID 1124078
N-(4-methylphenyl)sulfonyladamantane-1-carboxamide
CID 159904270

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea (CID 110747154) is 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea is Cc1ccc(S(=O)(=O)NC(=O)NC2CC2c2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea?
The InChIKey is PZDUKDAXLLTCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-4-6-11(7-5-10)22(19,20)17-15(18)16-13-9-12(13)14-3-2-8-21-14/h2-8,12-13H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea?
1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea has a molecular weight of 336.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea is sourced from PubChem (CID 110747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).