1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

C19H20N4O3S2 — CID 11611408

IUPAC1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCCNc1ccc(S(=O)(=O)NC(=O)Nc2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-3-20-15-9-11-16(12-10-15)28(25,26)23-19(24)22-18-17(21-13(2)27-18)14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3,(H2,22,23,24)
InChIKeyXBTIWBVIUIPIHL-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 11611408) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
PubChem CID11611408
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCCNc1ccc(S(=O)(=O)NC(=O)Nc2sc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-3-20-15-9-11-16(12-10-15)28(25,26)23-19(24)22-18-17(21-13(2)27-18)14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3,(H2,22,23,24)
InChIKeyXBTIWBVIUIPIHL-UHFFFAOYSA-N
XLogP4.06
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-({[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}sulfonyl)phenyl]acetamide
CID 2196104
2-{[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}-N-(1-phenylethyl)acetamide
CID 16189369
N-[3-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl-cyclopentylsulfamoyl]phenyl]acetamide
CID 53316701
N-[4-({[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino}sulfonyl)phenyl]acetamide
CID 1001507
N-(4-(3-((2-(tert-butyl)-4-(m-tolyl)thiazol-5-yl)methyl)ureido)-2-fluorobenzyl)methanesulfonamide
CID 121364805
N-(4-(3-((2-(tert-butyl)-4-(3-fluorophenyl)thiazol-5-yl)methyl)ureido)benzyl)methanesulfonamide
CID 121364868
N-[4-(2-{[4-(aminosulfonyl)phenyl]amino}-1,3-thiazol-4-yl)phenyl]acetamide
CID 2215716
2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(2-phenylethyl)acetamide
CID 20889175
4-[[4-[1-Amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 46944160
4-(1-amino-2-phenylethyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 49795806
N-phenyl-N'-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 1497761
N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (CID 11611408) is 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is CCNc1ccc(S(=O)(=O)NC(=O)Nc2sc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is XBTIWBVIUIPIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-3-20-15-9-11-16(12-10-15)28(25,26)23-19(24)22-18-17(21-13(2)27-18)14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 416.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 11611408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).