N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide

C17H20N2OS — CID 62501307

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
SMILESNCCc1ccc(CNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c18-11-10-14-6-8-15(9-7-14)12-19-17(20)13-21-16-4-2-1-3-5-16/h1-9H,10-13,18H2,(H,19,20)
InChIKeyCPNYSQANFJFFKU-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.60
Rot. Bonds7

About N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide

N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide (PubChem CID 62501307) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
PubChem CID62501307
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide
SMILESNCCc1ccc(CNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c18-11-10-14-6-8-15(9-7-14)12-19-17(20)13-21-16-4-2-1-3-5-16/h1-9H,10-13,18H2,(H,19,20)
InChIKeyCPNYSQANFJFFKU-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233586
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
CID 90126046
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
3-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid
CID 60894962
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide (CID 62501307) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide is NCCc1ccc(CNC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is CPNYSQANFJFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-11-10-14-6-8-15(9-7-14)12-19-17(20)13-21-16-4-2-1-3-5-16/h1-9H,10-13,18H2,(H,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 62501307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).