N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C26H27N3O4S2 — CID 121043463

IUPACN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)c1cccc(NS(=O)(=O)c3ccc(OC)cc3)c1)n2C
InChIInChI=1S/C26H27N3O4S2/c1-4-5-7-18-10-15-23-24(16-18)34-26(29(23)2)27-25(30)19-8-6-9-20(17-19)28-35(31,32)22-13-11-21(33-3)12-14-22/h6,8-17,28H,4-5,7H2,1-3H3/b27-26-
InChIKeyWOIMCGWTRTUQNM-RQZHXJHFSA-N
MW509.65 g/mol
LogP5.13
Rot. Bonds8

About N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043463) has the molecular formula C26H27N3O4S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043463
Molecular FormulaC26H27N3O4S2
Molecular Weight509.65 g/mol
Exact Mass509.14
IUPAC NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)c1cccc(NS(=O)(=O)c3ccc(OC)cc3)c1)n2C
InChIInChI=1S/C26H27N3O4S2/c1-4-5-7-18-10-15-23-24(16-18)34-26(29(23)2)27-25(30)19-8-6-9-20(17-19)28-35(31,32)22-13-11-21(33-3)12-14-22/h6,8-17,28H,4-5,7H2,1-3H3/b27-26-
InChIKeyWOIMCGWTRTUQNM-RQZHXJHFSA-N
XLogP5.13
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043250
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043155
methyl 3-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazole-6-carboxylate
CID 121043363
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121041894
N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045488
ethyl 2-[6-butyl-2-[3-[(4-chlorophenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121043056
N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043372
ethyl 2-[6-butyl-2-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121045487
methyl 2-[6-methoxy-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121043402
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043317
methyl 2-[6-ethoxy-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121043403
ethyl 2-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 121042054

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043463) is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is CCCCc1ccc2c(c1)s/c(=N\C(=O)c1cccc(NS(=O)(=O)c3ccc(OC)cc3)c1)n2C.
What is the InChIKey of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is WOIMCGWTRTUQNM-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H27N3O4S2/c1-4-5-7-18-10-15-23-24(16-18)34-26(29(23)2)27-25(30)19-8-6-9-20(17-19)28-35(31,32)22-13-11-21(33-3)12-14-22/h6,8-17,28H,4-5,7H2,1-3H3/b27-26-.
What are the key properties of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 509.65 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).