3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

C21H21N3O3S2 — CID 46667861

IUPAC3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-2-14-6-8-15(9-7-14)19-13-28-21(22-19)23-20(25)16-4-3-5-18(12-16)29(26,27)24-17-10-11-17/h3-9,12-13,17,24H,2,10-11H2,1H3,(H,22,23,25)
InChIKeyYVYPFQZYRPNAAC-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.07
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46667861) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID46667861
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC Name3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-2-14-6-8-15(9-7-14)19-13-28-21(22-19)23-20(25)16-4-3-5-18(12-16)29(26,27)24-17-10-11-17/h3-9,12-13,17,24H,2,10-11H2,1H3,(H,22,23,25)
InChIKeyYVYPFQZYRPNAAC-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299392
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299563
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146668
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55488992
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18227741
5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 46667861) is 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is CCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)cc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YVYPFQZYRPNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-2-14-6-8-15(9-7-14)19-13-28-21(22-19)23-20(25)16-4-3-5-18(12-16)29(26,27)24-17-10-11-17/h3-9,12-13,17,24H,2,10-11H2,1H3,(H,22,23,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46667861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).