N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide

C26H21F2NO5S2 — CID 18444624

IUPACN-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CSc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C26H21F2NO5S2/c1-17-20(15-24(33-17)25(30)29-36(31,32)23-5-3-2-4-6-23)16-35-22-13-9-19(10-14-22)18-7-11-21(12-8-18)34-26(27)28/h2-15,26H,16H2,1H3,(H,29,30)
InChIKeyJKWWDKBIZDWTNI-UHFFFAOYSA-N
MW529.59 g/mol
LogP6.27
Rot. Bonds9

About N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide

N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide (PubChem CID 18444624) has the molecular formula C26H21F2NO5S2 and a molecular weight of 529.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide
PubChem CID18444624
Molecular FormulaC26H21F2NO5S2
Molecular Weight529.59 g/mol
Exact Mass529.08
IUPAC NameN-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CSc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C26H21F2NO5S2/c1-17-20(15-24(33-17)25(30)29-36(31,32)23-5-3-2-4-6-23)16-35-22-13-9-19(10-14-22)18-7-11-21(12-8-18)34-26(27)28/h2-15,26H,16H2,1H3,(H,29,30)
InChIKeyJKWWDKBIZDWTNI-UHFFFAOYSA-N
XLogP6.27
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.59
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide with MolForge

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Related Compounds

N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide;4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 158134117
4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxylic acid;4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide
CID 159596827
N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxamide;4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 159041040
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(4-methylphenyl)sulfonylindole-3-carboxamide
CID 175472714
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
2-[4-(difluoromethoxy)phenyl]-N-(1,1-diphenylethyl)acetamide
CID 56522955
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
CID 58824159
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
4-[(2-amino-5-methoxyphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 79511384
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide (CID 18444624) is N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide is Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CSc1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide?
The InChIKey is JKWWDKBIZDWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO5S2/c1-17-20(15-24(33-17)25(30)29-36(31,32)23-5-3-2-4-6-23)16-35-22-13-9-19(10-14-22)18-7-11-21(12-8-18)34-26(27)28/h2-15,26H,16H2,1H3,(H,29,30).
What are the key properties of N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide?
N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenyl]sulfanylmethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 18444624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).