2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide

C24H25N3O4S — CID 139895048

IUPAC2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-26(2)24(28)18-27(32(29,30)22-12-10-21(31-3)11-13-22)23-7-5-4-6-20(23)9-8-19-14-16-25-17-15-19/h4-17H,18H2,1-3H3/b9-8+
InChIKeyAFCWETODAWKSJU-CMDGGOBGSA-N
MW451.55 g/mol
LogP3.54
Rot. Bonds8

About 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide

2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide (PubChem CID 139895048) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
PubChem CID139895048
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-26(2)24(28)18-27(32(29,30)22-12-10-21(31-3)11-13-22)23-7-5-4-6-20(23)9-8-19-14-16-25-17-15-19/h4-17H,18H2,1-3H3/b9-8+
InChIKeyAFCWETODAWKSJU-CMDGGOBGSA-N
XLogP3.54
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 10272987
N-(4-methoxyphenyl)sulfonyl-N-[2-[(Z)-2-pyridin-4-ylethenyl]phenyl]acetamide
CID 167028467
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
CID 139895004
2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
CID 139894940
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
CID 142655552
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetic acid
CID 139894948
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]anilino]acetic acid
CID 139895022
tert-butyl 2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetate
CID 139895016
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
CID 126346209
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
N-hydroxy-2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]anilino]acetamide
CID 139894955

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide (CID 139895048) is 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccccc2/C=C/c2ccncc2)cc1.
What is the InChIKey of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide?
The InChIKey is AFCWETODAWKSJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-26(2)24(28)18-27(32(29,30)22-12-10-21(31-3)11-13-22)23-7-5-4-6-20(23)9-8-19-14-16-25-17-15-19/h4-17H,18H2,1-3H3/b9-8+.
What are the key properties of 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide?
2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide has a molecular weight of 451.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 139895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).