N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C16H18N2O2S3 — CID 40892464

IUPACN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCCCc1ccc2c(c1)sc(=NS(=O)(=O)c1cccs1)n2C
InChIInChI=1S/C16H18N2O2S3/c1-3-4-6-12-8-9-13-14(11-12)22-16(18(13)2)17-23(19,20)15-7-5-10-21-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyHYOIGZJZVVUESR-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.93
Rot. Bonds5

About N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 40892464) has the molecular formula C16H18N2O2S3 and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID40892464
Molecular FormulaC16H18N2O2S3
Molecular Weight366.53 g/mol
Exact Mass366.05
IUPAC NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCCCc1ccc2c(c1)sc(=NS(=O)(=O)c1cccs1)n2C
InChIInChI=1S/C16H18N2O2S3/c1-3-4-6-12-8-9-13-14(11-12)22-16(18(13)2)17-23(19,20)15-7-5-10-21-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyHYOIGZJZVVUESR-UHFFFAOYSA-N
XLogP3.93
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938162
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892491
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340089
(E)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 40996770
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892331
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 42554002
6-butyl-3-methyl-1,3-benzothiazol-2-one
CID 19913098
(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938161
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892489
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 40996647
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 40892464) is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is CCCCc1ccc2c(c1)sc(=NS(=O)(=O)c1cccs1)n2C.
What is the InChIKey of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is HYOIGZJZVVUESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S3/c1-3-4-6-12-8-9-13-14(11-12)22-16(18(13)2)17-23(19,20)15-7-5-10-21-15/h5,7-11H,3-4,6H2,1-2H3.
What are the key properties of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 40892464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).