N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide

C15H23N3O3S2 — CID 119332384

IUPACN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3S2/c1-10-5-6-11(17-14(19)12-8-22-9-16-12)7-13(10)23(20,21)18-15(2,3)4/h5-7,12,16,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyPGIDXAWRKIAPOG-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.67
Rot. Bonds4

About N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide

N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119332384) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119332384
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3S2/c1-10-5-6-11(17-14(19)12-8-22-9-16-12)7-13(10)23(20,21)18-15(2,3)4/h5-7,12,16,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyPGIDXAWRKIAPOG-UHFFFAOYSA-N
XLogP1.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119332388
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide (CID 119332384) is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSCN2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PGIDXAWRKIAPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-10-5-6-11(17-14(19)12-8-22-9-16-12)7-13(10)23(20,21)18-15(2,3)4/h5-7,12,16,18H,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119332384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).