4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide

C24H25N3O3S2 — CID 3491895

IUPAC4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1
InChIInChI=1S/C24H25N3O3S2/c1-4-5-16-26(2)32(29,30)19-13-10-18(11-14-19)23(28)25-24-27(3)22-20-9-7-6-8-17(20)12-15-21(22)31-24/h6-15H,4-5,16H2,1-3H3/b25-24-
InChIKeyRJIBJUYQPUVJQH-IZHYLOQSSA-N
MW467.62 g/mol
LogP4.55
Rot. Bonds6

About 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide

4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 3491895) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
PubChem CID3491895
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1
InChIInChI=1S/C24H25N3O3S2/c1-4-5-16-26(2)32(29,30)19-13-10-18(11-14-19)23(28)25-24-27(3)22-20-9-7-6-8-17(20)12-15-21(22)31-24/h6-15H,4-5,16H2,1-3H3/b25-24-
InChIKeyRJIBJUYQPUVJQH-IZHYLOQSSA-N
XLogP4.55
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152728
4-[butyl(methyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5068765
N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3348543
4-[butyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 2155563
4-[butyl(methyl)sulfamoyl]-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3349276
ethyl 2-[2-[4-[butyl(methyl)sulfamoyl]benzoyl]iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 43941823
3-ethylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 40697546
4-[butyl(methyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
CID 4125797
4-[butyl(methyl)sulfamoyl]-N-[5-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41203375
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide
CID 4672343
methyl 2-[2-[4-[butyl(methyl)sulfamoyl]benzoyl]imino-4,5-dichloro-1,3-benzothiazol-3-yl]acetate
CID 43942250
4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152749

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide (CID 3491895) is 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide?
The InChIKey is RJIBJUYQPUVJQH-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-4-5-16-26(2)32(29,30)19-13-10-18(11-14-19)23(28)25-24-27(3)22-20-9-7-6-8-17(20)12-15-21(22)31-24/h6-15H,4-5,16H2,1-3H3/b25-24-.
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide?
4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 467.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3491895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).