4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide

C19H19N3O4S2 — CID 140537411

IUPAC4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(CCN(c2nccs2)S(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H19N3O4S2/c1-26-16-4-2-3-14(13-16)9-11-22(19-21-10-12-27-19)28(24,25)17-7-5-15(6-8-17)18(20)23/h2-8,10,12-13H,9,11H2,1H3,(H2,20,23)
InChIKeyIKOCDYPHNOYZSV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.69
Rot. Bonds8

About 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide

4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide (PubChem CID 140537411) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide
PubChem CID140537411
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(CCN(c2nccs2)S(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H19N3O4S2/c1-26-16-4-2-3-14(13-16)9-11-22(19-21-10-12-27-19)28(24,25)17-7-5-15(6-8-17)18(20)23/h2-8,10,12-13H,9,11H2,1H3,(H2,20,23)
InChIKeyIKOCDYPHNOYZSV-UHFFFAOYSA-N
XLogP2.69
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
CID 61420166
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 70830666
methyl 2-fluoro-4-[(2-hydroxy-4-methoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 145483733
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486974

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide (CID 140537411) is 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide is COc1cccc(CCN(c2nccs2)S(=O)(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide?
The InChIKey is IKOCDYPHNOYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-16-4-2-3-14(13-16)9-11-22(19-21-10-12-27-19)28(24,25)17-7-5-15(6-8-17)18(20)23/h2-8,10,12-13H,9,11H2,1H3,(H2,20,23).
What are the key properties of 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide?
4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 140537411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).