2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride

C16H26ClN3O4S — CID 119693192

IUPAC2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-4-23-14-8-7-13(9-15(14)24(21,22)19(2)3)18-16(20)11-17-10-12-5-6-12;/h7-9,12,17H,4-6,10-11H2,1-3H3,(H,18,20);1H
InChIKeySPMGKCBLVNGXKM-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.70
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride (PubChem CID 119693192) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
PubChem CID119693192
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-4-23-14-8-7-13(9-15(14)24(21,22)19(2)3)18-16(20)11-17-10-12-5-6-12;/h7-9,12,17H,4-6,10-11H2,1-3H3,(H,18,20);1H
InChIKeySPMGKCBLVNGXKM-UHFFFAOYSA-N
XLogP1.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride 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

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 21175502
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride (CID 119693192) is 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride is CCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride?
The InChIKey is SPMGKCBLVNGXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-4-23-14-8-7-13(9-15(14)24(21,22)19(2)3)18-16(20)11-17-10-12-5-6-12;/h7-9,12,17H,4-6,10-11H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119693192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).