1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea

C18H18N4O3S2 — CID 134611890

IUPAC1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23)
InChIKeyNZXOWNNCAZTBDJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.61
Rot. Bonds6

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

1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 134611890) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID134611890
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23)
InChIKeyNZXOWNNCAZTBDJ-UHFFFAOYSA-N
XLogP3.61
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylsulfathiazole
CID 67183
2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 324089
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
3-Methyl-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-butyramide
CID 784406
Butyl [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamate
CID 1562731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea (CID 134611890) is 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NZXOWNNCAZTBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 402.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 134611890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).