N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide

C26H21N3O4S — CID 142655552

IUPACN-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C26H21N3O4S/c1-33-23-10-12-24(13-11-23)34(31,32)29(26(30)22-6-4-16-28-19-22)25-7-3-2-5-21(25)9-8-20-14-17-27-18-15-20/h2-19H,1H3/b9-8+
InChIKeyDUYRPJUXSBXJMX-CMDGGOBGSA-N
MW471.54 g/mol
LogP4.69
Rot. Bonds7

About N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide

N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide (PubChem CID 142655552) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
PubChem CID142655552
Molecular FormulaC26H21N3O4S
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC NameN-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccccc2/C=C/c2ccncc2)cc1
InChIInChI=1S/C26H21N3O4S/c1-33-23-10-12-24(13-11-23)34(31,32)29(26(30)22-6-4-16-28-19-22)25-7-3-2-5-21(25)9-8-20-14-17-27-18-15-20/h2-19H,1H3/b9-8+
InChIKeyDUYRPJUXSBXJMX-CMDGGOBGSA-N
XLogP4.69
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)sulfonyl-N-[2-[(Z)-2-pyridin-4-ylethenyl]phenyl]acetamide
CID 167028467
2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
N-(2-hydroxyethyl)-4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
CID 10272987
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-2-(4-methylpiperazin-1-yl)-N-[2-[2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
CID 69341477
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1075723
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-3-yl)ethenyl]anilino]acetic acid
CID 139894948
ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
CID 20871823
bis[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbonate;pyridine-3-carboxylic acid
CID 174054814
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide (CID 142655552) is N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccccc2/C=C/c2ccncc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DUYRPJUXSBXJMX-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H21N3O4S/c1-33-23-10-12-24(13-11-23)34(31,32)29(26(30)22-6-4-16-28-19-22)25-7-3-2-5-21(25)9-8-20-14-17-27-18-15-20/h2-19H,1H3/b9-8+.
What are the key properties of N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide?
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142655552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).