N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C19H21N3O4S2 — CID 55704554

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H21N3O4S2/c1-12(2)19-21-13(3)17(27-19)18(23)22-14-6-4-8-16(10-14)28(24,25)20-11-15-7-5-9-26-15/h4-10,12,20H,11H2,1-3H3,(H,22,23)
InChIKeyGHNKFRYMPWRPDS-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.90
Rot. Bonds7

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55704554) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55704554
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H21N3O4S2/c1-12(2)19-21-13(3)17(27-19)18(23)22-14-6-4-8-16(10-14)28(24,25)20-11-15-7-5-9-26-15/h4-10,12,20H,11H2,1-3H3,(H,22,23)
InChIKeyGHNKFRYMPWRPDS-UHFFFAOYSA-N
XLogP3.90
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
CID 4071248
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86934875
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
CID 25499038
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55704554) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GHNKFRYMPWRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-12(2)19-21-13(3)17(27-19)18(23)22-14-6-4-8-16(10-14)28(24,25)20-11-15-7-5-9-26-15/h4-10,12,20H,11H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55704554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).