N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

C16H25N3O4S — CID 154765435

IUPACN-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)Nc2c(C)cccc2OC)C1
InChIInChI=1S/C16H25N3O4S/c1-12-6-4-8-14(23-3)15(12)18-16(20)19-9-5-7-13(10-19)11-24(21,22)17-2/h4,6,8,13,17H,5,7,9-11H2,1-3H3,(H,18,20)
InChIKeyYTXPCQNJIVOLGB-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 154765435) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
PubChem CID154765435
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)Nc2c(C)cccc2OC)C1
InChIInChI=1S/C16H25N3O4S/c1-12-6-4-8-14(23-3)15(12)18-16(20)19-9-5-7-13(10-19)11-24(21,22)17-2/h4,6,8,13,17H,5,7,9-11H2,1-3H3,(H,18,20)
InChIKeyYTXPCQNJIVOLGB-UHFFFAOYSA-N
XLogP1.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
N-(2-chloro-6-methylphenyl)-3-[(4-cyano-2-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 155501859
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 167923654
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-methyl-1-[1-(4-oxo-3H-phthalazine-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166247377
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 124628090
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (CID 154765435) is N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is CNS(=O)(=O)CC1CCCN(C(=O)Nc2c(C)cccc2OC)C1.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is YTXPCQNJIVOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-6-4-8-14(23-3)15(12)18-16(20)19-9-5-7-13(10-19)11-24(21,22)17-2/h4,6,8,13,17H,5,7,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 154765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).