1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea

C17H25N3O3S — CID 113093625

IUPAC1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea
SMILESCS(=O)(=O)N(c1ccccc1NC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20(14-11-12-14)16-10-6-5-9-15(16)19-17(21)18-13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H2,18,19,21)
InChIKeyPYPJLWMENZIBOY-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.07
Rot. Bonds5

About 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea

1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea (PubChem CID 113093625) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea
PubChem CID113093625
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea
SMILESCS(=O)(=O)N(c1ccccc1NC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20(14-11-12-14)16-10-6-5-9-15(16)19-17(21)18-13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H2,18,19,21)
InChIKeyPYPJLWMENZIBOY-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
CID 113093621
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide
CID 113093595
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
CID 2956335
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
CID 5011815
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
CID 113093650
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea (CID 113093625) is 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea is CS(=O)(=O)N(c1ccccc1NC(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea?
The InChIKey is PYPJLWMENZIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)20(14-11-12-14)16-10-6-5-9-15(16)19-17(21)18-13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea?
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea has a molecular weight of 351.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea is sourced from PubChem (CID 113093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).