1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea

C18H18N4O3S2 — CID 19133974

IUPAC1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(S(=O)(=O)NCNC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-13-7-9-15(10-8-13)27(24,25)20-12-19-17(23)22-18-21-16(11-26-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,19,21,22,23)
InChIKeySCCNLQUDTQMWPZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.18
Rot. Bonds6

About 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 19133974) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID19133974
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(S(=O)(=O)NCNC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-13-7-9-15(10-8-13)27(24,25)20-12-19-17(23)22-18-21-16(11-26-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,19,21,22,23)
InChIKeySCCNLQUDTQMWPZ-UHFFFAOYSA-N
XLogP3.18
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789534
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 19133974) is 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea is Cc1ccc(S(=O)(=O)NCNC(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is SCCNLQUDTQMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-13-7-9-15(10-8-13)27(24,25)20-12-19-17(23)22-18-21-16(11-26-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,19,21,22,23).
What are the key properties of 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 402.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 19133974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).