5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide

C24H27NO3S — CID 21046123

IUPAC5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)c1ccc(Sc2c(C)cccc2C)o1
InChIInChI=1S/C24H27NO3S/c1-16-9-8-10-17(2)23(16)29-22-14-13-21(28-22)24(26)25(4)18(3)15-19-11-6-7-12-20(19)27-5/h6-14,18H,15H2,1-5H3
InChIKeyDXLVDFUIVCYZIY-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.76
Rot. Bonds7

About 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide

5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide (PubChem CID 21046123) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide
PubChem CID21046123
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC Name5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)c1ccc(Sc2c(C)cccc2C)o1
InChIInChI=1S/C24H27NO3S/c1-16-9-8-10-17(2)23(16)29-22-14-13-21(28-22)24(26)25(4)18(3)15-19-11-6-7-12-20(19)27-5/h6-14,18H,15H2,1-5H3
InChIKeyDXLVDFUIVCYZIY-UHFFFAOYSA-N
XLogP5.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
CID 96567467
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046250
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
CID 21047558
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
CID 65486876
5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046146
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide (CID 21046123) is 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide is COc1ccccc1CC(C)N(C)C(=O)c1ccc(Sc2c(C)cccc2C)o1.
What is the InChIKey of 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide?
The InChIKey is DXLVDFUIVCYZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-16-9-8-10-17(2)23(16)29-22-14-13-21(28-22)24(26)25(4)18(3)15-19-11-6-7-12-20(19)27-5/h6-14,18H,15H2,1-5H3.
What are the key properties of 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide?
5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 21046123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).