N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

C26H29ClN2O4S — CID 122588613

IUPACN-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(-c2cn(C)c(=O)cc2C(C)NS(=O)C(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H29ClN2O4S/c1-16(28-34(32)26(2,3)4)21-14-24(30)29(5)15-23(21)20-12-11-19(33-6)13-22(20)25(31)17-7-9-18(27)10-8-17/h7-16,28H,1-6H3
InChIKeyYYOMOIDSJBDXGS-UHFFFAOYSA-N
MW501.05 g/mol
LogP5.06
Rot. Bonds7

About N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 122588613) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID122588613
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC NameN-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(-c2cn(C)c(=O)cc2C(C)NS(=O)C(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H29ClN2O4S/c1-16(28-34(32)26(2,3)4)21-14-24(30)29(5)15-23(21)20-12-11-19(33-6)13-22(20)25(31)17-7-9-18(27)10-8-17/h7-16,28H,1-6H3
InChIKeyYYOMOIDSJBDXGS-UHFFFAOYSA-N
XLogP5.06
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 122588613) is N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is COc1ccc(-c2cn(C)c(=O)cc2C(C)NS(=O)C(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is YYOMOIDSJBDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-16(28-34(32)26(2,3)4)21-14-24(30)29(5)15-23(21)20-12-11-19(33-6)13-22(20)25(31)17-7-9-18(27)10-8-17/h7-16,28H,1-6H3.
What are the key properties of N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 501.05 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]-1-methyl-2-oxo-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122588613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).