2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

C23H25N3O5S2 — CID 27046938

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H25N3O5S2/c1-16-7-9-18(10-8-16)26(15-23(27)25-24-17(2)22-6-5-13-32-22)33(28,29)19-11-12-20(30-3)21(14-19)31-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-17+
InChIKeySTHGVTQHEXYRSP-JJIBRWJFSA-N
MW487.60 g/mol
LogP3.81
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 27046938) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID27046938
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H25N3O5S2/c1-16-7-9-18(10-8-16)26(15-23(27)25-24-17(2)22-6-5-13-32-22)33(28,29)19-11-12-20(30-3)21(14-19)31-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-17+
InChIKeySTHGVTQHEXYRSP-JJIBRWJFSA-N
XLogP3.81
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126136912
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3371590
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126144613
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126030742
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126148217
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126034557
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5335350
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 124544498
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (CID 27046938) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is STHGVTQHEXYRSP-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-16-7-9-18(10-8-16)26(15-23(27)25-24-17(2)22-6-5-13-32-22)33(28,29)19-11-12-20(30-3)21(14-19)31-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-17+.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 487.60 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 27046938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).