N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide

C20H26N2O2S — CID 55350071

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
SMILESCOc1ccccc1C(CNC(=O)CCSc1ccccc1)N(C)C
InChIInChI=1S/C20H26N2O2S/c1-22(2)18(17-11-7-8-12-19(17)24-3)15-21-20(23)13-14-25-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,21,23)
InChIKeyFATBCTBYVWBMPK-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.60
Rot. Bonds9

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 55350071) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID55350071
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
SMILESCOc1ccccc1C(CNC(=O)CCSc1ccccc1)N(C)C
InChIInChI=1S/C20H26N2O2S/c1-22(2)18(17-11-7-8-12-19(17)24-3)15-21-20(23)13-14-25-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,21,23)
InChIKeyFATBCTBYVWBMPK-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylethyl)thiourea
CID 55397772
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 55364516
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43067247
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984
3-methoxy-4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 103152885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
CID 94173335

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide (CID 55350071) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide is COc1ccccc1C(CNC(=O)CCSc1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is FATBCTBYVWBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-22(2)18(17-11-7-8-12-19(17)24-3)15-21-20(23)13-14-25-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 358.51 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 55350071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).