N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide

C19H25NO4S — CID 9160739

IUPACN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)(C)C)c2ccco2)cc1C
InChIInChI=1S/C19H25NO4S/c1-13-8-9-15(11-14(13)2)25(22,23)17(16-7-6-10-24-16)12-20-18(21)19(3,4)5/h6-11,17H,12H2,1-5H3,(H,20,21)/t17-/m1/s1
InChIKeyOHQMIWKCKRRKTQ-QGZVFWFLSA-N
MW363.48 g/mol
LogP3.57
Rot. Bonds5

About N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide

N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 9160739) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID9160739
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)(C)C)c2ccco2)cc1C
InChIInChI=1S/C19H25NO4S/c1-13-8-9-15(11-14(13)2)25(22,23)17(16-7-6-10-24-16)12-20-18(21)19(3,4)5/h6-11,17H,12H2,1-5H3,(H,20,21)/t17-/m1/s1
InChIKeyOHQMIWKCKRRKTQ-QGZVFWFLSA-N
XLogP3.57
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160245
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
CID 43981223
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide (CID 9160739) is N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide is Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)(C)C)c2ccco2)cc1C.
What is the InChIKey of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is OHQMIWKCKRRKTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-13-8-9-15(11-14(13)2)25(22,23)17(16-7-6-10-24-16)12-20-18(21)19(3,4)5/h6-11,17H,12H2,1-5H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 9160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).