N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C16H26ClN3O4S2 — CID 119269605

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)N(CC)CC.Cl
InChIInChI=1S/C16H25N3O4S2.ClH/c1-4-19(5-2)25(21,22)15-9-12(7-8-14(15)23-6-3)18-16(20)13-10-24-11-17-13;/h7-9,13,17H,4-6,10-11H2,1-3H3,(H,18,20);1H
InChIKeyUMMLQQSZMMVVJA-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.14
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119269605) has the molecular formula C16H26ClN3O4S2 and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119269605
Molecular FormulaC16H26ClN3O4S2
Molecular Weight423.99 g/mol
Exact Mass423.11
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)N(CC)CC.Cl
InChIInChI=1S/C16H25N3O4S2.ClH/c1-4-19(5-2)25(21,22)15-9-12(7-8-14(15)23-6-3)18-16(20)13-10-24-11-17-13;/h7-9,13,17H,4-6,10-11H2,1-3H3,(H,18,20);1H
InChIKeyUMMLQQSZMMVVJA-UHFFFAOYSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119266222
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43702511

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119269605) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CCOc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)N(CC)CC.Cl.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is UMMLQQSZMMVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2.ClH/c1-4-19(5-2)25(21,22)15-9-12(7-8-14(15)23-6-3)18-16(20)13-10-24-11-17-13;/h7-9,13,17H,4-6,10-11H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119269605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).