2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide

C13H20N2O2S — CID 66225221

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(C)CN)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(7-14)8-18-9-13(16)15-11-3-5-12(17-2)6-4-11/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyHNGQSOZLZCYLLD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds7

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 66225221) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID66225221
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(C)CN)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(7-14)8-18-9-13(16)15-11-3-5-12(17-2)6-4-11/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyHNGQSOZLZCYLLD-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
2-(3-amino-2-methylpropyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66226351
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
N-(4-methoxyphenyl)-2-(3-oxobutan-2-ylsulfanyl)acetamide
CID 3359591
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide
CID 8752422
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 66226971

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 66225221) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(C)CN)cc1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is HNGQSOZLZCYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(7-14)8-18-9-13(16)15-11-3-5-12(17-2)6-4-11/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 66225221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).