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

C23H20N2O4S2 — CID 24509023

IUPAC5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)cs1
InChIInChI=1S/C23H20N2O4S2/c1-16-25-21(14-30-16)18-9-7-17(8-10-18)13-24-23(26)22-12-11-19(29-22)15-31(27,28)20-5-3-2-4-6-20/h2-12,14H,13,15H2,1H3,(H,24,26)
InChIKeyNKCXHHHGKHTBAD-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.62
Rot. Bonds7

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

5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 24509023) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID24509023
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC Name5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)cs1
InChIInChI=1S/C23H20N2O4S2/c1-16-25-21(14-30-16)18-9-7-17(8-10-18)13-24-23(26)22-12-11-19(29-22)15-31(27,28)20-5-3-2-4-6-20/h2-12,14H,13,15H2,1H3,(H,24,26)
InChIKeyNKCXHHHGKHTBAD-UHFFFAOYSA-N
XLogP4.62
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
(2S)-2-(benzenesulfonamido)-3-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]butanamide
CID 24513892
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide (CID 24509023) is 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)cs1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is NKCXHHHGKHTBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-16-25-21(14-30-16)18-9-7-17(8-10-18)13-24-23(26)22-12-11-19(29-22)15-31(27,28)20-5-3-2-4-6-20/h2-12,14H,13,15H2,1H3,(H,24,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 24509023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).