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

C14H22N2O2S — CID 66225874

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSCC(C)CN)c1
InChIInChI=1S/C14H22N2O2S/c1-11(7-15)9-19-10-14(17)16-8-12-4-3-5-13(6-12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeySNPFMWXAOMVXCA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.64
Rot. Bonds8

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

2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 66225874) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID66225874
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSCC(C)CN)c1
InChIInChI=1S/C14H22N2O2S/c1-11(7-15)9-19-10-14(17)16-8-12-4-3-5-13(6-12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeySNPFMWXAOMVXCA-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 66129150
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134021325
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112685361
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7692216

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 66225874) is 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSCC(C)CN)c1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is SNPFMWXAOMVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(7-15)9-19-10-14(17)16-8-12-4-3-5-13(6-12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.64, 8 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 66225874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).