5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide

C19H21N3O4S2 — CID 55843338

IUPAC5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C19H21N3O4S2/c1-19(2,3)22-28(24,25)17-10-9-15(26-17)18(23)20-11-16-21-14(12-27-16)13-7-5-4-6-8-13/h4-10,12,22H,11H2,1-3H3,(H,20,23)
InChIKeyKZKRXUGOTNWSQO-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.41
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 55843338) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
PubChem CID55843338
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C19H21N3O4S2/c1-19(2,3)22-28(24,25)17-10-9-15(26-17)18(23)20-11-16-21-14(12-27-16)13-7-5-4-6-8-13/h4-10,12,22H,11H2,1-3H3,(H,20,23)
InChIKeyKZKRXUGOTNWSQO-UHFFFAOYSA-N
XLogP3.41
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 157018683
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
N-tert-butyl-2-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385311
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (CID 55843338) is 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is KZKRXUGOTNWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-19(2,3)22-28(24,25)17-10-9-15(26-17)18(23)20-11-16-21-14(12-27-16)13-7-5-4-6-8-13/h4-10,12,22H,11H2,1-3H3,(H,20,23).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55843338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).