3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide

C19H24N2O3S — CID 86912332

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)N(C)C(C)c2cccs2)NC(C)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(18-6-5-11-25-18)21(3)19(23)12-17(20-14(2)22)15-7-9-16(24-4)10-8-15/h5-11,13,17H,12H2,1-4H3,(H,20,22)
InChIKeyRLFWYQLYVVRIDL-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.54
Rot. Bonds7

About 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide

3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 86912332) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID86912332
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)N(C)C(C)c2cccs2)NC(C)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-13(18-6-5-11-25-18)21(3)19(23)12-17(20-14(2)22)15-7-9-16(24-4)10-8-15/h5-11,13,17H,12H2,1-4H3,(H,20,22)
InChIKeyRLFWYQLYVVRIDL-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 51311545
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
(3S)-3-acetamido-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-phenylpropanamide
CID 9406265
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide (CID 86912332) is 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide is COc1ccc(C(CC(=O)N(C)C(C)c2cccs2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is RLFWYQLYVVRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(18-6-5-11-25-18)21(3)19(23)12-17(20-14(2)22)15-7-9-16(24-4)10-8-15/h5-11,13,17H,12H2,1-4H3,(H,20,22).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 86912332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).