1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea

C17H20N2O3S — CID 50944728

IUPAC1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
SMILESCCC(NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-16(13-9-11-15(12-10-13)23(2,21)22)19-17(20)18-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20)
InChIKeyBLCHZQKSPXVFEM-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea

1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea (PubChem CID 50944728) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
PubChem CID50944728
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
SMILESCCC(NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-16(13-9-11-15(12-10-13)23(2,21)22)19-17(20)18-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20)
InChIKeyBLCHZQKSPXVFEM-UHFFFAOYSA-N
XLogP3.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-(3-methylphenyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216656

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea?
The IUPAC name of 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea (CID 50944728) is 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea is CCC(NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea?
The InChIKey is BLCHZQKSPXVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-16(13-9-11-15(12-10-13)23(2,21)22)19-17(20)18-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea?
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea has a molecular weight of 332.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea is sourced from PubChem (CID 50944728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).