4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide

C22H20N2O3S2 — CID 25406798

IUPAC4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
SMILESCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c3ccccc3ccc21
InChIInChI=1S/C22H20N2O3S2/c1-24-19-14-13-16-8-5-6-11-18(16)21(19)28-22(24)23-20(25)12-7-15-29(26,27)17-9-3-2-4-10-17/h2-6,8-11,13-14H,7,12,15H2,1H3/b23-22-
InChIKeyYVZDQHPYKCRXNC-FCQUAONHSA-N
MW424.55 g/mol
LogP4.07
Rot. Bonds5

About 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide

4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide (PubChem CID 25406798) has the molecular formula C22H20N2O3S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
PubChem CID25406798
Molecular FormulaC22H20N2O3S2
Molecular Weight424.55 g/mol
Exact Mass424.09
IUPAC Name4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
SMILESCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c3ccccc3ccc21
InChIInChI=1S/C22H20N2O3S2/c1-24-19-14-13-16-8-5-6-11-18(16)21(19)28-22(24)23-20(25)12-7-15-29(26,27)17-9-3-2-4-10-17/h2-6,8-11,13-14H,7,12,15H2,1H3/b23-22-
InChIKeyYVZDQHPYKCRXNC-FCQUAONHSA-N
XLogP4.07
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
3-(benzenesulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)propanamide
CID 7153851
4-(4-chlorophenyl)sulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide
CID 25407615
4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide
CID 41087126
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 25406860
N,N'-bis[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]nonanediamide
CID 43938997
3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519470
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 25407391
4-(benzenesulfonyl)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide
CID 25406819

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide (CID 25406798) is 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide is Cn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c3ccccc3ccc21.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide?
The InChIKey is YVZDQHPYKCRXNC-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O3S2/c1-24-19-14-13-16-8-5-6-11-18(16)21(19)28-22(24)23-20(25)12-7-15-29(26,27)17-9-3-2-4-10-17/h2-6,8-11,13-14H,7,12,15H2,1H3/b23-22-.
What are the key properties of 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide?
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide has a molecular weight of 424.55 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide is sourced from PubChem (CID 25406798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).