3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide

C18H22N2O3S — CID 51311545

IUPAC3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(CN(C)C(=O)CC(NC(C)=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O3S/c1-13(21)19-16(17-8-5-9-24-17)11-18(22)20(2)12-14-6-4-7-15(10-14)23-3/h4-10,16H,11-12H2,1-3H3,(H,19,21)
InChIKeyUBMNZBFBEPMIDD-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.98
Rot. Bonds7

About 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide

3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 51311545) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID51311545
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(CN(C)C(=O)CC(NC(C)=O)c2cccs2)c1
InChIInChI=1S/C18H22N2O3S/c1-13(21)19-16(17-8-5-9-24-17)11-18(22)20(2)12-14-6-4-7-15(10-14)23-3/h4-10,16H,11-12H2,1-3H3,(H,19,21)
InChIKeyUBMNZBFBEPMIDD-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358
(3S)-3-acetamido-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42011765
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 86912332
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 94017825
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
CID 51935652
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46518980
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
CID 42931784
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (CID 51311545) is 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is COc1cccc(CN(C)C(=O)CC(NC(C)=O)c2cccs2)c1.
What is the InChIKey of 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is UBMNZBFBEPMIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(21)19-16(17-8-5-9-24-17)11-18(22)20(2)12-14-6-4-7-15(10-14)23-3/h4-10,16H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 51311545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).