N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C17H20N2O4S — CID 95976164

IUPACN,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20N2O4S/c1-11-5-10-15(16(20)18-11)17(21)19(3)12(2)13-6-8-14(9-7-13)24(4,22)23/h5-10,12H,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyHBLWJCPWCDBVPL-GFCCVEGCSA-N
MW348.42 g/mol
LogP1.92
Rot. Bonds4

About N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976164) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976164
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20N2O4S/c1-11-5-10-15(16(20)18-11)17(21)19(3)12(2)13-6-8-14(9-7-13)24(4,22)23/h5-10,12H,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyHBLWJCPWCDBVPL-GFCCVEGCSA-N
XLogP1.92
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 112813602
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 134063137
N,5-dimethyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-4-carboxamide
CID 42945851
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
4-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 55551487
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
2-iodo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzamide
CID 55974409

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 95976164) is N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1.
What is the InChIKey of N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HBLWJCPWCDBVPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-5-10-15(16(20)18-11)17(21)19(3)12(2)13-6-8-14(9-7-13)24(4,22)23/h5-10,12H,1-4H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).