N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C16H27ClN4O3S — CID 119919356

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-11-7-14(24(17,22)23)8-15(12(11)2)19-16(21)10-20-6-4-5-13(9-20)18-3;/h7-8,13,18H,4-6,9-10H2,1-3H3,(H,19,21)(H2,17,22,23);1H
InChIKeyAXFCHPQEHLEHMN-UHFFFAOYSA-N
MW390.94 g/mol
LogP0.99
Rot. Bonds5

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119919356) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119919356
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-11-7-14(24(17,22)23)8-15(12(11)2)19-16(21)10-20-6-4-5-13(9-20)18-3;/h7-8,13,18H,4-6,9-10H2,1-3H3,(H,19,21)(H2,17,22,23);1H
InChIKeyAXFCHPQEHLEHMN-UHFFFAOYSA-N
XLogP0.99
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019549
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545627
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 166209944
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119919356) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1.Cl.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is AXFCHPQEHLEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-11-7-14(24(17,22)23)8-15(12(11)2)19-16(21)10-20-6-4-5-13(9-20)18-3;/h7-8,13,18H,4-6,9-10H2,1-3H3,(H,19,21)(H2,17,22,23);1H.
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119919356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).