4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C23H27N3O3S2 — CID 43947402

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c2c1
InChIInChI=1S/C23H27N3O3S2/c1-15-13-16(2)21-20(14-15)25(3)23(30-21)24-22(27)17-9-11-19(12-10-17)31(28,29)26(4)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3/b24-23-
InChIKeyYTPMLOKDESUOCC-VHXPQNKSSA-N
MW457.62 g/mol
LogP4.16
Rot. Bonds4

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43947402) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43947402
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c2c1
InChIInChI=1S/C23H27N3O3S2/c1-15-13-16(2)21-20(14-15)25(3)23(30-21)24-22(27)17-9-11-19(12-10-17)31(28,29)26(4)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3/b24-23-
InChIKeyYTPMLOKDESUOCC-VHXPQNKSSA-N
XLogP4.16
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 42523056
4-[cyclopropyl(methyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41364152
4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4284456
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947397
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364141
4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364257
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3359754
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4609685
methyl 2-[2-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942272
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885515
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612904

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43947402) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(C)c2c1.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is YTPMLOKDESUOCC-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-15-13-16(2)21-20(14-15)25(3)23(30-21)24-22(27)17-9-11-19(12-10-17)31(28,29)26(4)18-7-5-6-8-18/h9-14,18H,5-8H2,1-4H3/b24-23-.
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 457.62 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43947402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).