(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C16H23N3O5S — CID 25469701

IUPAC(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H23N3O5S/c1-11(20)17-13-6-7-15(24-2)14(9-13)18-16(21)12-5-4-8-19(10-12)25(3,22)23/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyFCJADVBVEXGALE-GFCCVEGCSA-N
MW369.44 g/mol
LogP1.26
Rot. Bonds5

About (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 25469701) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID25469701
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H23N3O5S/c1-11(20)17-13-6-7-15(24-2)14(9-13)18-16(21)12-5-4-8-19(10-12)25(3,22)23/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyFCJADVBVEXGALE-GFCCVEGCSA-N
XLogP1.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 19583470
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55766233
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 25469701) is (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is FCJADVBVEXGALE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-11(20)17-13-6-7-15(24-2)14(9-13)18-16(21)12-5-4-8-19(10-12)25(3,22)23/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 25469701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).