N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide

C27H28N2O4S — CID 112803154

IUPACN-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)N2CC=C(c3ccc(O)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-7-13-26(14-8-21)34(32,33)29(24-5-3-2-4-6-24)20-17-27(31)28-18-15-23(16-19-28)22-9-11-25(30)12-10-22/h2-15,30H,16-20H2,1H3
InChIKeyVDDWZZRCUCIPCP-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.60
Rot. Bonds7

About N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide

N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 112803154) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID112803154
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)N2CC=C(c3ccc(O)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-7-13-26(14-8-21)34(32,33)29(24-5-3-2-4-6-24)20-17-27(31)28-18-15-23(16-19-28)22-9-11-25(30)12-10-22/h2-15,30H,16-20H2,1H3
InChIKeyVDDWZZRCUCIPCP-UHFFFAOYSA-N
XLogP4.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1000735
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
[1-(4-methylphenyl)sulfonylcyclopropyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22429104
N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 47014257
4-bromo-N-[3-[4-(4-chloro-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 167932324
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17430046
3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 166189422
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38168513
3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
CID 119452704

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide (CID 112803154) is N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC=C(c3ccc(O)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is VDDWZZRCUCIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-21-7-13-26(14-8-21)34(32,33)29(24-5-3-2-4-6-24)20-17-27(31)28-18-15-23(16-19-28)22-9-11-25(30)12-10-22/h2-15,30H,16-20H2,1H3.
What are the key properties of N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide?
N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 112803154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).