2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C17H23N3O3S2 — CID 95155780

IUPAC2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H23N3O3S2/c1-11(12-6-8-13(9-7-12)25(18,22)23)20(5)15(21)14-10-19-16(24-14)17(2,3)4/h6-11H,1-5H3,(H2,18,22,23)/t11-/m1/s1
InChIKeyBKAMADATSROQJL-LLVKDONJSA-N
MW381.52 g/mol
LogP2.92
Rot. Bonds4

About 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 95155780) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID95155780
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H23N3O3S2/c1-11(12-6-8-13(9-7-12)25(18,22)23)20(5)15(21)14-10-19-16(24-14)17(2,3)4/h6-11H,1-5H3,(H2,18,22,23)/t11-/m1/s1
InChIKeyBKAMADATSROQJL-LLVKDONJSA-N
XLogP2.92
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 24675406
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 46635368
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 95155780) is 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BKAMADATSROQJL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-11(12-6-8-13(9-7-12)25(18,22)23)20(5)15(21)14-10-19-16(24-14)17(2,3)4/h6-11H,1-5H3,(H2,18,22,23)/t11-/m1/s1.
What are the key properties of 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95155780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).