2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C22H23N3O4S2 — CID 6375088

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2sccc2C)Cc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-17-12-13-30-21(17)14-23-24-22(26)16-25(15-18-6-4-3-5-7-18)31(27,28)20-10-8-19(29-2)9-11-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14-
InChIKeyGVDYTPPQKSHXPJ-UCQKPKSFSA-N
MW457.58 g/mol
LogP3.41
Rot. Bonds9

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 6375088) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID6375088
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2sccc2C)Cc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-17-12-13-30-21(17)14-23-24-22(26)16-25(15-18-6-4-3-5-7-18)31(27,28)20-10-8-19(29-2)9-11-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14-
InChIKeyGVDYTPPQKSHXPJ-UCQKPKSFSA-N
XLogP3.41
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.41
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-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 94846825
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6884239
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 126192310
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6033568
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 94846831
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126002407
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 94838040
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98100291
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3895821
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 126141676
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126004083
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98099964

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 6375088) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2sccc2C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is GVDYTPPQKSHXPJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-17-12-13-30-21(17)14-23-24-22(26)16-25(15-18-6-4-3-5-7-18)31(27,28)20-10-8-19(29-2)9-11-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14-.
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6375088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).