1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea

C14H17N3O3S2 — CID 110747663

IUPAC1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)N(C)CCc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-11-3-5-12(6-4-11)22(19,20)16-14(18)17(2)9-7-13-15-8-10-21-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,18)
InChIKeyGDHAGNVUVBNCKZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.02
Rot. Bonds5

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

1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 110747663) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID110747663
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)N(C)CCc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-11-3-5-12(6-4-11)22(19,20)16-14(18)17(2)9-7-13-15-8-10-21-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,18)
InChIKeyGDHAGNVUVBNCKZ-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-methylphenyl)sulfonyl-1-(2-thiophen-2-ylethyl)urea
CID 110749043
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
1-ethyl-3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylethyl)urea
CID 110755015
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110742660
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
N-(dimethylsulfamoyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 110716052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 110747663) is 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is Cc1ccc(S(=O)(=O)NC(=O)N(C)CCc2nccs2)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is GDHAGNVUVBNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-11-3-5-12(6-4-11)22(19,20)16-14(18)17(2)9-7-13-15-8-10-21-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 110747663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).