1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea

C18H21N3O3S — CID 46534979

IUPAC1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H21N3O3S/c1-12-3-4-13(2)17(11-12)25(23,24)21-16-9-7-15(8-10-16)20-18(22)19-14-5-6-14/h3-4,7-11,14,21H,5-6H2,1-2H3,(H2,19,20,22)
InChIKeyJIPYIANAEFHWHO-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.39
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea

1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea (PubChem CID 46534979) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
PubChem CID46534979
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H21N3O3S/c1-12-3-4-13(2)17(11-12)25(23,24)21-16-9-7-15(8-10-16)20-18(22)19-14-5-6-14/h3-4,7-11,14,21H,5-6H2,1-2H3,(H2,19,20,22)
InChIKeyJIPYIANAEFHWHO-UHFFFAOYSA-N
XLogP3.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
CID 134017661
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
CID 134025769
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
CID 134040540
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 24530569
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea (CID 46534979) is 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea?
The InChIKey is JIPYIANAEFHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-3-4-13(2)17(11-12)25(23,24)21-16-9-7-15(8-10-16)20-18(22)19-14-5-6-14/h3-4,7-11,14,21H,5-6H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea?
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea has a molecular weight of 359.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 46534979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).