N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide

C18H22N2O3S — CID 38769399

IUPACN,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-12(2)23-13(3)17(11)18(22)20(4)10-16(21)19-14-8-6-7-9-15(14)24-5/h6-9H,10H2,1-5H3,(H,19,21)
InChIKeyOLZLBGOOXJYTBQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.64
Rot. Bonds5

About N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide

N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide (PubChem CID 38769399) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
PubChem CID38769399
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-12(2)23-13(3)17(11)18(22)20(4)10-16(21)19-14-8-6-7-9-15(14)24-5/h6-9H,10H2,1-5H3,(H,19,21)
InChIKeyOLZLBGOOXJYTBQ-UHFFFAOYSA-N
XLogP3.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472
N,2,4,5-tetramethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]furan-3-carboxamide
CID 18097973
5-chloro-N,3-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 38763661
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55535124
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176

Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide (CID 38769399) is N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide?
The InChIKey is OLZLBGOOXJYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-12(2)23-13(3)17(11)18(22)20(4)10-16(21)19-14-8-6-7-9-15(14)24-5/h6-9H,10H2,1-5H3,(H,19,21).
What are the key properties of N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide?
N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 38769399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).