N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide

C24H28N2O4S — CID 155068946

IUPACN,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccnc(C(C)C)c2)cc1
InChIInChI=1S/C24H28N2O4S/c1-18(2)24-15-23(13-14-25-24)31(27,28)26(16-19-5-9-21(29-3)10-6-19)17-20-7-11-22(30-4)12-8-20/h5-15,18H,16-17H2,1-4H3
InChIKeyYYJDHLYZYJPDSR-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.61
Rot. Bonds9

About N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide (PubChem CID 155068946) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
PubChem CID155068946
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccnc(C(C)C)c2)cc1
InChIInChI=1S/C24H28N2O4S/c1-18(2)24-15-23(13-14-25-24)31(27,28)26(16-19-5-9-21(29-3)10-6-19)17-20-7-11-22(30-4)12-8-20/h5-15,18H,16-17H2,1-4H3
InChIKeyYYJDHLYZYJPDSR-UHFFFAOYSA-N
XLogP4.61
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
3,4-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 42462945
N,N-bis[(4-methoxyphenyl)methyl]-3-nitro-4-phosphanylbenzenesulfonamide
CID 170368358
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 146797793
3-acetyl-4-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 146592128
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N-[(2R)-butan-2-yl]-4-[(4-methoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]benzenesulfonimidic acid
CID 126419270
5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
CID 178149371

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide (CID 155068946) is N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccnc(C(C)C)c2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide?
The InChIKey is YYJDHLYZYJPDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-18(2)24-15-23(13-14-25-24)31(27,28)26(16-19-5-9-21(29-3)10-6-19)17-20-7-11-22(30-4)12-8-20/h5-15,18H,16-17H2,1-4H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide is sourced from PubChem (CID 155068946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).