1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C19H20N4O4S2 — CID 56567767

IUPAC1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(14-5-7-18(8-6-14)29(20,25)26)22-19(24)23-15-3-2-4-17(9-15)27-10-16-11-28-12-21-16/h2-9,11-13H,10H2,1H3,(H2,20,25,26)(H2,22,23,24)
InChIKeyJNSZHCSRCGSFQW-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.25
Rot. Bonds7

About 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 56567767) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID56567767
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(14-5-7-18(8-6-14)29(20,25)26)22-19(24)23-15-3-2-4-17(9-15)27-10-16-11-28-12-21-16/h2-9,11-13H,10H2,1H3,(H2,20,25,26)(H2,22,23,24)
InChIKeyJNSZHCSRCGSFQW-UHFFFAOYSA-N
XLogP3.25
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea with MolForge

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Related Compounds

N-[1-(4-sulfamoylphenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 45281533
1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567735
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55746519
methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
CID 52838954
1-[(1S)-1-phenylethyl]-3-[3-[[2,4,6-triethyl-3,5-bis[[3-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]methyl]phenyl]methoxy]phenyl]urea
CID 102490935
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 56567767) is 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is CC(NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is JNSZHCSRCGSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13(14-5-7-18(8-6-14)29(20,25)26)22-19(24)23-15-3-2-4-17(9-15)27-10-16-11-28-12-21-16/h2-9,11-13H,10H2,1H3,(H2,20,25,26)(H2,22,23,24).
What are the key properties of 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 432.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 56567767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).