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

C24H29N3O3S2 — CID 43947437

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(CC)c12
InChIInChI=1S/C24H29N3O3S2/c1-4-17-9-8-12-21-22(17)27(5-2)24(31-21)25-23(28)18-13-15-20(16-14-18)32(29,30)26(3)19-10-6-7-11-19/h8-9,12-16,19H,4-7,10-11H2,1-3H3/b25-24-
InChIKeyKMAKLKDPAMHIAP-IZHYLOQSSA-N
MW471.65 g/mol
LogP4.59
Rot. Bonds6

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

4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43947437) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43947437
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(CC)c12
InChIInChI=1S/C24H29N3O3S2/c1-4-17-9-8-12-21-22(17)27(5-2)24(31-21)25-23(28)18-13-15-20(16-14-18)32(29,30)26(3)19-10-6-7-11-19/h8-9,12-16,19H,4-7,10-11H2,1-3H3/b25-24-
InChIKeyKMAKLKDPAMHIAP-IZHYLOQSSA-N
XLogP4.59
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(methyl)sulfamoyl]-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364032
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947598
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 41260572
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612904
4-[cyclohexyl(methyl)sulfamoyl]-N-(7-propyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 43978816
4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40691093
4-[cyclopropyl(methyl)sulfamoyl]-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41364356
4-[cyclohexyl(methyl)sulfamoyl]-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984936
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4609685
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41235566
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 7154092
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3359754

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43947437) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide is CCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)n(CC)c12.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is KMAKLKDPAMHIAP-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-4-17-9-8-12-21-22(17)27(5-2)24(31-21)25-23(28)18-13-15-20(16-14-18)32(29,30)26(3)19-10-6-7-11-19/h8-9,12-16,19H,4-7,10-11H2,1-3H3/b25-24-.
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 471.65 g/mol, XLogP of 4.59, 6 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-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43947437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).