N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide

C16H22N2O4S — CID 51083095

IUPACN-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc(C2=CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-22-15-5-3-13(4-6-15)14-8-11-18(12-9-14)16(19)7-10-17-23(2,20)21/h3-6,8,17H,7,9-12H2,1-2H3
InChIKeyQPWFBXWNWSQOMS-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.25
Rot. Bonds6

About N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 51083095) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID51083095
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc(C2=CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-22-15-5-3-13(4-6-15)14-8-11-18(12-9-14)16(19)7-10-17-23(2,20)21/h3-6,8,17H,7,9-12H2,1-2H3
InChIKeyQPWFBXWNWSQOMS-UHFFFAOYSA-N
XLogP1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
(2S)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 94029523
1-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 167899736
3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
CID 42281256
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 46421317
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 94122847
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
3-methyl-2-oxo-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide
CID 3241000

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide (CID 51083095) is N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide is COc1ccc(C2=CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is QPWFBXWNWSQOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-15-5-3-13(4-6-15)14-8-11-18(12-9-14)16(19)7-10-17-23(2,20)21/h3-6,8,17H,7,9-12H2,1-2H3.
What are the key properties of N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 51083095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).