N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide

C17H27N3O4S — CID 120896043

IUPACN-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CCNCC1
InChIInChI=1S/C17H27N3O4S/c1-13-4-5-15(10-16(13)20-14(2)21)25(22,23)19-11-17(12-24-3)6-8-18-9-7-17/h4-5,10,18-19H,6-9,11-12H2,1-3H3,(H,20,21)
InChIKeyNBDJDSKJFLTMEL-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.25
Rot. Bonds7

About N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide

N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide (PubChem CID 120896043) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
PubChem CID120896043
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CCNCC1
InChIInChI=1S/C17H27N3O4S/c1-13-4-5-15(10-16(13)20-14(2)21)25(22,23)19-11-17(12-24-3)6-8-18-9-7-17/h4-5,10,18-19H,6-9,11-12H2,1-3H3,(H,20,21)
InChIKeyNBDJDSKJFLTMEL-UHFFFAOYSA-N
XLogP1.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide (CID 120896043) is N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide is COCC1(CNS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CCNCC1.
What is the InChIKey of N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide?
The InChIKey is NBDJDSKJFLTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13-4-5-15(10-16(13)20-14(2)21)25(22,23)19-11-17(12-24-3)6-8-18-9-7-17/h4-5,10,18-19H,6-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide?
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 120896043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).