4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C21H23N3O3S2 — CID 43947275

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)nc12
InChIInChI=1S/C21H23N3O3S2/c1-14-6-5-9-18-19(14)22-21(28-18)23-20(25)15-10-12-17(13-11-15)29(26,27)24(2)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,22,23,25)
InChIKeyRAFPSSSJFVXAED-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.42
Rot. Bonds5

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43947275) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID43947275
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)nc12
InChIInChI=1S/C21H23N3O3S2/c1-14-6-5-9-18-19(14)22-21(28-18)23-20(25)15-10-12-17(13-11-15)29(26,27)24(2)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,22,23,25)
InChIKeyRAFPSSSJFVXAED-UHFFFAOYSA-N
XLogP4.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41364346
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831380
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4215772
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831376
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5176879
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 18584056
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963799

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 43947275) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)nc12.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RAFPSSSJFVXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-14-6-5-9-18-19(14)22-21(28-18)23-20(25)15-10-12-17(13-11-15)29(26,27)24(2)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 429.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43947275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).