N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide

C18H24N4O3S — CID 26335696

IUPACN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(c2ncccc2CNS(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-25-17-8-4-3-7-16(17)21-10-12-22(13-11-21)18-15(6-5-9-19-18)14-20-26(2,23)24/h3-9,20H,10-14H2,1-2H3
InChIKeyOGSOHOPQUIAKFL-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.47
Rot. Bonds6

About N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide

N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 26335696) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
PubChem CID26335696
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(c2ncccc2CNS(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-25-17-8-4-3-7-16(17)21-10-12-22(13-11-21)18-15(6-5-9-19-18)14-20-26(2,23)24/h3-9,20H,10-14H2,1-2H3
InChIKeyOGSOHOPQUIAKFL-UHFFFAOYSA-N
XLogP1.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]prop-2-ene-1-sulfonamide
CID 42458057
2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile
CID 56744991
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46393694
N-[3-(methanesulfonamido)propyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133421
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133868
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
N-[3-(methanesulfonamido)propyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133420
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide (CID 26335696) is N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide is COc1ccccc1N1CCN(c2ncccc2CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is OGSOHOPQUIAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-25-17-8-4-3-7-16(17)21-10-12-22(13-11-21)18-15(6-5-9-19-18)14-20-26(2,23)24/h3-9,20H,10-14H2,1-2H3.
What are the key properties of N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide?
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 26335696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).