4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

C23H21N3O3S2 — CID 3514286

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc2s1
InChIInChI=1S/C23H21N3O3S2/c1-16-24-21-14-19(10-13-22(21)30-16)25-23(27)18-8-11-20(12-9-18)31(28,29)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyIMCULDWFDHJIPO-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.68
Rot. Bonds6

About 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 3514286) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID3514286
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc2s1
InChIInChI=1S/C23H21N3O3S2/c1-16-24-21-14-19(10-13-22(21)30-16)25-23(27)18-8-11-20(12-9-18)31(28,29)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyIMCULDWFDHJIPO-UHFFFAOYSA-N
XLogP4.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SB-782443
CID 9951636
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187406
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
CID 231116
N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4853292
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
N,4-Dimethyl-N-(2-methylbenzo[d]thiazol-5-yl)benzenesulfonamide
CID 768655
4-(4-Benzothiazol-2-yl-piperidine-1-sulfonyl)-N,N-diethyl-benzamide
CID 1436935
[4-(4-Benzothiazol-2-yl-piperidine-1-sulfonyl)-phenyl]-(3-methyl-piperidin-1-yl)-methanone
CID 3223531
N-[2-(Aminomethyl)-1,3-benzothiazol-5-yl]-4-tert-butylbenzamide
CID 11209975
4-tert-Butyl-N-(2-{[(methylsulfonyl)amino]methyl}-1,3-benzothiazol-5-yl)benzamide
CID 11247081
4-Tert-butyl-n-(2-methyl-benzothiazol-5-yl)-benzamide
CID 11472797
N-[[4-(1-Piperidinylsulfonyl)phenyl]methyl]-6-benzothiazolecarboxamide
CID 56943317

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 3514286) is 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)ccc2s1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is IMCULDWFDHJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-16-24-21-14-19(10-13-22(21)30-16)25-23(27)18-8-11-20(12-9-18)31(28,29)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 3514286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).