N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide

C19H31N3O4S — CID 119693189

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)C2CCCNC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H31N3O4S/c1-5-26-17-9-8-16(12-18(17)27(24,25)22(3)4)21-19(23)11-14(2)15-7-6-10-20-13-15/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3,(H,21,23)
InChIKeyZPKFYYADPLQTPA-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.30
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119693189) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide
PubChem CID119693189
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)C2CCCNC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H31N3O4S/c1-5-26-17-9-8-16(12-18(17)27(24,25)22(3)4)21-19(23)11-14(2)15-7-6-10-20-13-15/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3,(H,21,23)
InChIKeyZPKFYYADPLQTPA-UHFFFAOYSA-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

Analyze N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119744019
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide (CID 119693189) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide is CCOc1ccc(NC(=O)CC(C)C2CCCNC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ZPKFYYADPLQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-5-26-17-9-8-16(12-18(17)27(24,25)22(3)4)21-19(23)11-14(2)15-7-6-10-20-13-15/h8-9,12,14-15,20H,5-7,10-11,13H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide 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-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119693189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).