1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

C16H18ClN3O3S — CID 10595159

IUPAC1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCO)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-12-2-8-15(9-3-12)24(23,18-10-11-21)20-16(22)19-14-6-4-13(17)5-7-14/h2-9,21H,10-11H2,1H3,(H2,18,19,20,22,23)
InChIKeyBBSZJJCBEJPHIL-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (PubChem CID 10595159) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
PubChem CID10595159
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCO)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-12-2-8-15(9-3-12)24(23,18-10-11-21)20-16(22)19-14-6-4-13(17)5-7-14/h2-9,21H,10-11H2,1H3,(H2,18,19,20,22,23)
InChIKeyBBSZJJCBEJPHIL-UHFFFAOYSA-N
XLogP3.20
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654
LY 181984
CID 160725
1-(4-Chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10640711
1-(3,4-Dichlorophenyl)-3-(4-methylphenyl)sulfonylurea
CID 1381597
N-[(2,4-dichlorophenyl)carbamoyl]-4-methylbenzenesulfonamide
CID 1381601
[(3-chlorophenyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 5200039
1-[Amino-(3,4-dimethylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10019988
1-[Amino-[4-(hydroxymethyl)phenyl]-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10042838
1-[Amino-(3,5-dimethylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10520951
1-(4-Chlorophenyl)-3-[(3,4-dimethylphenyl)-(methylamino)-oxo-lambda6-sulfanylidene]urea
CID 10545908
1-(4-chlorophenyl)-3-[2,3-dihydro-1H-inden-5-yl-(methylamino)-oxo-lambda6-sulfanylidene]urea
CID 10570731

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (CID 10595159) is 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is Cc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCO)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The InChIKey is BBSZJJCBEJPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-12-2-8-15(9-3-12)24(23,18-10-11-21)20-16(22)19-14-6-4-13(17)5-7-14/h2-9,21H,10-11H2,1H3,(H2,18,19,20,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea has a molecular weight of 367.86 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-hydroxyethylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is sourced from PubChem (CID 10595159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).