N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide

C19H31N3O4S — CID 94141161

IUPACN-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1NC(C)=O
InChIInChI=1S/C19H31N3O4S/c1-14-10-15(2)13-22(12-14)9-5-8-20-27(24,25)17-6-7-19(26-4)18(11-17)21-16(3)23/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyPTFMRPIZSAUUFB-GJZGRUSLSA-N
MW397.54 g/mol
LogP2.30
Rot. Bonds8

About N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 94141161) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID94141161
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1NC(C)=O
InChIInChI=1S/C19H31N3O4S/c1-14-10-15(2)13-22(12-14)9-5-8-20-27(24,25)17-6-7-19(26-4)18(11-17)21-16(3)23/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyPTFMRPIZSAUUFB-GJZGRUSLSA-N
XLogP2.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 46972031
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 78879562
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[2-methoxy-5-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]phenyl]acetamide
CID 8797558
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide (CID 94141161) is N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1NC(C)=O.
What is the InChIKey of N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is PTFMRPIZSAUUFB-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-14-10-15(2)13-22(12-14)9-5-8-20-27(24,25)17-6-7-19(26-4)18(11-17)21-16(3)23/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 397.54 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 94141161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).