N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide

C18H19NO5S3 — CID 41193242

IUPACN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H19NO5S3/c1-13-7-8-14(2)16(11-13)27(22,23)19-12-17(15-5-3-9-24-15)26(20,21)18-6-4-10-25-18/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1
InChIKeyAICXEQGXSIJRMP-QGZVFWFLSA-N
MW425.55 g/mol
LogP3.45
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide

N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 41193242) has the molecular formula C18H19NO5S3 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID41193242
Molecular FormulaC18H19NO5S3
Molecular Weight425.55 g/mol
Exact Mass425.04
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H19NO5S3/c1-13-7-8-14(2)16(11-13)27(22,23)19-12-17(15-5-3-9-24-15)26(20,21)18-6-4-10-25-18/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1
InChIKeyAICXEQGXSIJRMP-QGZVFWFLSA-N
XLogP3.45
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 18574164
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 122265698
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide (CID 41193242) is N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AICXEQGXSIJRMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO5S3/c1-13-7-8-14(2)16(11-13)27(22,23)19-12-17(15-5-3-9-24-15)26(20,21)18-6-4-10-25-18/h3-11,17,19H,12H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 41193242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).