N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

C22H24ClN3O3S2 — CID 43947397

IUPACN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCc1cc(Cl)cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c12
InChIInChI=1S/C22H24ClN3O3S2/c1-14-12-16(23)13-19-20(14)25(2)22(30-19)24-21(27)15-8-10-18(11-9-15)31(28,29)26(3)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/b24-22-
InChIKeyISXKJBYZZYLBNZ-GYHWCHFESA-N
MW478.04 g/mol
LogP4.51
Rot. Bonds4

About N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (PubChem CID 43947397) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
PubChem CID43947397
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC NameN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCc1cc(Cl)cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c12
InChIInChI=1S/C22H24ClN3O3S2/c1-14-12-16(23)13-19-20(14)25(2)22(30-19)24-21(27)15-8-10-18(11-9-15)31(28,29)26(3)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/b24-22-
InChIKeyISXKJBYZZYLBNZ-GYHWCHFESA-N
XLogP4.51
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4609685
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3359754
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364141
methyl 2-[2-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942272
4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364257
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364170
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947437
4-[cyclohexyl(methyl)sulfamoyl]-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984936
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 4595842
4-[cyclohexyl(methyl)sulfamoyl]-N-(7-propyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 43978816
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 2159279

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (CID 43947397) is N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide is Cc1cc(Cl)cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c12.
What is the InChIKey of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The InChIKey is ISXKJBYZZYLBNZ-GYHWCHFESA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-14-12-16(23)13-19-20(14)25(2)22(30-19)24-21(27)15-8-10-18(11-9-15)31(28,29)26(3)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/b24-22-.
What are the key properties of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide has a molecular weight of 478.04 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).