N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide

C15H23N3O3S — CID 119968504

IUPACN-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCC2CCCNC2)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-5-6-14(8-15(11)18-12(2)19)22(20,21)17-10-13-4-3-7-16-9-13/h5-6,8,13,16-17H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeyLNTDHNUWGMKIRF-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.23
Rot. Bonds5

About N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide

N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 119968504) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID119968504
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCC2CCCNC2)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-5-6-14(8-15(11)18-12(2)19)22(20,21)17-10-13-4-3-7-16-9-13/h5-6,8,13,16-17H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeyLNTDHNUWGMKIRF-UHFFFAOYSA-N
XLogP1.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119968503
N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
CID 62674347
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
3-bromo-5-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 120707868
4-fluoro-N-[[(3S)-piperidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 124698032
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide (CID 119968504) is N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NCC2CCCNC2)ccc1C.
What is the InChIKey of N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is LNTDHNUWGMKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-5-6-14(8-15(11)18-12(2)19)22(20,21)17-10-13-4-3-7-16-9-13/h5-6,8,13,16-17H,3-4,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide?
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 119968504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).