N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride

C17H28ClN3O4S — CID 119683535

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)14-7-8-16(24-6-3)15(11-14)19-17(21)13-9-10-18-12-13;/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3,(H,19,21);1H
InChIKeyBGVGPPYNCGPJRU-UHFFFAOYSA-N
MW405.95 g/mol
LogP2.09
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119683535) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119683535
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)14-7-8-16(24-6-3)15(11-14)19-17(21)13-9-10-18-12-13;/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3,(H,19,21);1H
InChIKeyBGVGPPYNCGPJRU-UHFFFAOYSA-N
XLogP2.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
CID 42948243
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 119268085
N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119342431
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55465611
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119683535) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BGVGPPYNCGPJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-4-20(5-2)25(22,23)14-7-8-16(24-6-3)15(11-14)19-17(21)13-9-10-18-12-13;/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119683535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).