N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C18H22N2O2S — CID 119527437

IUPACN-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(23-16-10-8-15(22-2)9-11-16)18(21)20-12-17(19)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyKSECTTSTYCBKDN-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.99
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 119527437) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID119527437
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(23-16-10-8-15(22-2)9-11-16)18(21)20-12-17(19)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyKSECTTSTYCBKDN-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-benzyl-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119233672
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 119527437) is N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NCC(N)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is KSECTTSTYCBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(23-16-10-8-15(22-2)9-11-16)18(21)20-12-17(19)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 330.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 119527437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).