1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea

C17H20ClN3O2S — CID 10761364

IUPAC1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NC(C)C)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-12(2)20-24(23,16-10-4-13(3)5-11-16)21-17(22)19-15-8-6-14(18)7-9-15/h4-12H,1-3H3,(H2,19,20,21,22,23)
InChIKeyJWPLNQXQVGEYRP-UHFFFAOYSA-N
MW365.89 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea

1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea (PubChem CID 10761364) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
PubChem CID10761364
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
SMILESCc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NC(C)C)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-12(2)20-24(23,16-10-4-13(3)5-11-16)21-17(22)19-15-8-6-14(18)7-9-15/h4-12H,1-3H3,(H2,19,20,21,22,23)
InChIKeyJWPLNQXQVGEYRP-UHFFFAOYSA-N
XLogP4.62
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
1-[butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795
1-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-prop-2-enylurea
CID 10642499
1-benzyl-3-[(4-chloroanilino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
CID 11796026
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
CID 10830894

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea (CID 10761364) is 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea is Cc1ccc(S(=O)(=NC(=O)Nc2ccc(Cl)cc2)NC(C)C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea?
The InChIKey is JWPLNQXQVGEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-12(2)20-24(23,16-10-4-13(3)5-11-16)21-17(22)19-15-8-6-14(18)7-9-15/h4-12H,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea?
1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea has a molecular weight of 365.89 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea is sourced from PubChem (CID 10761364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).