2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide

C19H24N2O2S — CID 119319309

IUPAC2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
SMILESCOc1ccccc1SCC(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-14(13-24-17-11-7-6-10-16(17)23-2)12-21-19(22)18(20)15-8-4-3-5-9-15/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22)
InChIKeyBXYKSEAPSCULNN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.24
Rot. Bonds8

About 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide

2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide (PubChem CID 119319309) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
PubChem CID119319309
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
SMILESCOc1ccccc1SCC(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-14(13-24-17-11-7-6-10-16(17)23-2)12-21-19(22)18(20)15-8-4-3-5-9-15/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22)
InChIKeyBXYKSEAPSCULNN-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119776281
1-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]cyclopentane-1-carboxamide
CID 119319307
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
3-[[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]amino]propanoic acid
CID 154802130
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
1-benzyl-3-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylguanidine
CID 110954524
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide (CID 119319309) is 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide is COc1ccccc1SCC(C)CNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide?
The InChIKey is BXYKSEAPSCULNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(13-24-17-11-7-6-10-16(17)23-2)12-21-19(22)18(20)15-8-4-3-5-9-15/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide?
2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide has a molecular weight of 344.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide is sourced from PubChem (CID 119319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).