N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide

C16H22N2O5S — CID 15718177

IUPACN-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H22N2O5S/c1-11(19)18-8-6-12(7-9-18)16(20)14-5-4-13(10-15(14)23-2)17-24(3,21)22/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeySTXPEGFZYYKRRD-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.51
Rot. Bonds5

About N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide

N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide (PubChem CID 15718177) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide
PubChem CID15718177
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H22N2O5S/c1-11(19)18-8-6-12(7-9-18)16(20)14-5-4-13(10-15(14)23-2)17-24(3,21)22/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeySTXPEGFZYYKRRD-UHFFFAOYSA-N
XLogP1.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide (CID 15718177) is N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide?
The InChIKey is STXPEGFZYYKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11(19)18-8-6-12(7-9-18)16(20)14-5-4-13(10-15(14)23-2)17-24(3,21)22/h4-5,10,12,17H,6-9H2,1-3H3.
What are the key properties of N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide?
N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidine-4-carbonyl)-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 15718177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).