N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide

C18H22N2O2S — CID 30492683

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-13-5-4-6-14(2)18(13)19-16(21)11-20(3)17(22)8-7-15-9-10-23-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,21)
InChIKeyRDMRKEFEOUBCOL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 30492683) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID30492683
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-13-5-4-6-14(2)18(13)19-16(21)11-20(3)17(22)8-7-15-9-10-23-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,21)
InChIKeyRDMRKEFEOUBCOL-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
CID 9054891
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
6-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexanamide
CID 112791840
N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262
N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
CID 97229162
benzyl N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]carbamate
CID 55822545
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46438757
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide (CID 30492683) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1ccsc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is RDMRKEFEOUBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-5-4-6-14(2)18(13)19-16(21)11-20(3)17(22)8-7-15-9-10-23-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 330.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 30492683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).