2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide

C20H27NO2S — CID 68774407

IUPAC2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOc1cc(C(C)(C)C(=O)NCC(C)C)ccc1-c1cscc1C
InChIInChI=1S/C20H27NO2S/c1-13(2)10-21-19(22)20(4,5)15-7-8-16(18(9-15)23-6)17-12-24-11-14(17)3/h7-9,11-13H,10H2,1-6H3,(H,21,22)
InChIKeyNIRFXEIXFAXADP-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.78
Rot. Bonds6

About 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide

2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 68774407) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID68774407
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOc1cc(C(C)(C)C(=O)NCC(C)C)ccc1-c1cscc1C
InChIInChI=1S/C20H27NO2S/c1-13(2)10-21-19(22)20(4,5)15-7-8-16(18(9-15)23-6)17-12-24-11-14(17)3/h7-9,11-13H,10H2,1-6H3,(H,21,22)
InChIKeyNIRFXEIXFAXADP-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
methyl 3-[4-[2-methyl-4-[2-[4-[2-methyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]phenyl]phenyl]-1-(2-methylpropylamino)-1-oxobutan-2-yl]phenyl]benzoate
CID 134386210
2-(3,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 71920570
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958078
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
2-[4-(4-cyanofuran-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 70836008
N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437749

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 68774407) is 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide is COc1cc(C(C)(C)C(=O)NCC(C)C)ccc1-c1cscc1C.
What is the InChIKey of 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is NIRFXEIXFAXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-13(2)10-21-19(22)20(4,5)15-7-8-16(18(9-15)23-6)17-12-24-11-14(17)3/h7-9,11-13H,10H2,1-6H3,(H,21,22).
What are the key properties of 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide?
2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 345.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 68774407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).