1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea

C18H18N4O4S2 — CID 1090482

IUPAC1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1
InChIInChI=1S/C18H18N4O4S2/c1-12-16(21-17(23)20-13-8-10-14(26-2)11-9-13)27-18(19-12)22-28(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyLKTPDNXKHLKYMW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea

1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea (PubChem CID 1090482) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea
PubChem CID1090482
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1
InChIInChI=1S/C18H18N4O4S2/c1-12-16(21-17(23)20-13-8-10-14(26-2)11-9-13)27-18(19-12)22-28(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyLKTPDNXKHLKYMW-UHFFFAOYSA-N
XLogP3.90
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea (CID 1090482) is 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1.
What is the InChIKey of 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is LKTPDNXKHLKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-12-16(21-17(23)20-13-8-10-14(26-2)11-9-13)27-18(19-12)22-28(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea?
1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 418.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonamido)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 1090482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).