1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea

C19H28N2O4S — CID 154198344

IUPAC1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCCC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-4-18(22)15-7-11-17(12-8-15)26(24,25)21-19(23)20-16-9-5-14(6-10-16)13(2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyBWPORUIDUYGLFO-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea

1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea (PubChem CID 154198344) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea
PubChem CID154198344
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCCC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-4-18(22)15-7-11-17(12-8-15)26(24,25)21-19(23)20-16-9-5-14(6-10-16)13(2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyBWPORUIDUYGLFO-UHFFFAOYSA-N
XLogP3.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea (CID 154198344) is 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea is CCC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea?
The InChIKey is BWPORUIDUYGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-4-18(22)15-7-11-17(12-8-15)26(24,25)21-19(23)20-16-9-5-14(6-10-16)13(2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea?
1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea has a molecular weight of 380.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylphenyl)sulfonyl-3-(4-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 154198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).