N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide

C18H16ClN3O3S3 — CID 41363909

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C18H16ClN3O3S3/c1-22(12-4-5-12)28(24,25)13-6-2-11(3-7-13)17(23)21-18-20-14(10-26-18)15-8-9-16(19)27-15/h2-3,6-10,12H,4-5H2,1H3,(H,20,21,23)
InChIKeyGUSDNGZZCOOTPI-UHFFFAOYSA-N
MW454.00 g/mol
LogP4.56
Rot. Bonds6

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide (PubChem CID 41363909) has the molecular formula C18H16ClN3O3S3 and a molecular weight of 454.00 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
PubChem CID41363909
Molecular FormulaC18H16ClN3O3S3
Molecular Weight454.00 g/mol
Exact Mass453.00
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C18H16ClN3O3S3/c1-22(12-4-5-12)28(24,25)13-6-2-11(3-7-13)17(23)21-18-20-14(10-26-18)15-8-9-16(19)27-15/h2-3,6-10,12H,4-5H2,1H3,(H,20,21,23)
InChIKeyGUSDNGZZCOOTPI-UHFFFAOYSA-N
XLogP4.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947289
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363664
4-[cyclopentyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 18584062
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
methyl 4-[2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 3450897
4-[cyclopropyl(methyl)sulfamoyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 41363905
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
4-[methyl(propan-2-yl)sulfamoyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 35804701
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3260763
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 5078393

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide (CID 41363909) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide is CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide?
The InChIKey is GUSDNGZZCOOTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S3/c1-22(12-4-5-12)28(24,25)13-6-2-11(3-7-13)17(23)21-18-20-14(10-26-18)15-8-9-16(19)27-15/h2-3,6-10,12H,4-5H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide has a molecular weight of 454.00 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 41363909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).