2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C20H21ClN2O4S2 — CID 41136978

IUPAC2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H21ClN2O4S2/c1-4-11-23-18-16(27-3)10-5-13(2)19(18)28-20(23)22-17(24)12-29(25,26)15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-
InChIKeyFGUXTARAWWLYIJ-XDOYNYLZSA-N
MW452.99 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41136978) has the molecular formula C20H21ClN2O4S2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41136978
Molecular FormulaC20H21ClN2O4S2
Molecular Weight452.99 g/mol
Exact Mass452.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H21ClN2O4S2/c1-4-11-23-18-16(27-3)10-5-13(2)19(18)28-20(23)22-17(24)12-29(25,26)15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-
InChIKeyFGUXTARAWWLYIJ-XDOYNYLZSA-N
XLogP3.98
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 41149193
2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41136924
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7541284
2-(benzenesulfonyl)-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7541367
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 41136909
2-chloro-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
CID 41136958
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 41136959
2-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7519858
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
CID 43984697
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 41136943
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885192
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2151002

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41136978) is 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c(C)ccc(OC)c21.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is FGUXTARAWWLYIJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21ClN2O4S2/c1-4-11-23-18-16(27-3)10-5-13(2)19(18)28-20(23)22-17(24)12-29(25,26)15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 452.99 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41136978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).