N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

C16H18N2O3S — CID 9438703

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-18(16(20)9-12-7-8-22-11-12)10-15(19)17-13-3-5-14(21-2)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyDWJVPRCOUPDZIY-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 9438703) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID9438703
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-18(16(20)9-12-7-8-22-11-12)10-15(19)17-13-3-5-14(21-2)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyDWJVPRCOUPDZIY-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-3-ylacetamide
CID 9220607
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
CID 75382758
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 9438703) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is COc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is DWJVPRCOUPDZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18(16(20)9-12-7-8-22-11-12)10-15(19)17-13-3-5-14(21-2)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 9438703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).