2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide

C18H21N3O5S — CID 25162948

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C18H21N3O5S/c1-21(27(23,24)15-9-5-4-6-10-15)13-17(22)20-19-12-14-8-7-11-16(25-2)18(14)26-3/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyPYPUJNSPBSQHCE-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.47
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 25162948) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID25162948
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C18H21N3O5S/c1-21(27(23,24)15-9-5-4-6-10-15)13-17(22)20-19-12-14-8-7-11-16(25-2)18(14)26-3/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyPYPUJNSPBSQHCE-UHFFFAOYSA-N
XLogP1.47
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 92511766
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92513080
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511415
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 92519550
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide (CID 25162948) is 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide is COc1cccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is PYPUJNSPBSQHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-21(27(23,24)15-9-5-4-6-10-15)13-17(22)20-19-12-14-8-7-11-16(25-2)18(14)26-3/h4-12H,13H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 25162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).