N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C18H23N3O2S — CID 8863466

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)16(22)12-19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18-19H,12-13H2,1-3H3/t18-/m1/s1
InChIKeyOGGPDNPQYLAKGB-GOSISDBHSA-N
MW345.47 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 8863466) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID8863466
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)16(22)12-19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18-19H,12-13H2,1-3H3/t18-/m1/s1
InChIKeyOGGPDNPQYLAKGB-GOSISDBHSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126324
2-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8993579
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8695217
N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862218
N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 8863466) is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is CN(C)C(=O)CN(C)C(=O)CN[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is OGGPDNPQYLAKGB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)16(22)12-19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18-19H,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8863466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).