2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide

C14H20N2O2S — CID 79941718

IUPAC2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-7-13(9-19-10)15-11-3-5-12(6-4-11)16-14(17)8-18-2/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyDQWXYERNPNVSFR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.58
Rot. Bonds5

About 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide

2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide (PubChem CID 79941718) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
PubChem CID79941718
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-7-13(9-19-10)15-11-3-5-12(6-4-11)16-14(17)8-18-2/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyDQWXYERNPNVSFR-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
2-methoxy-N-[4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43717399
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
CID 113256330
2-methoxy-N-[4-[(3-methoxycyclohexyl)amino]phenyl]acetamide
CID 106871777
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
N-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-2-methoxyacetamide
CID 80705549
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide (CID 79941718) is 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide is COCC(=O)Nc1ccc(NC2CSC(C)C2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
The InChIKey is DQWXYERNPNVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-7-13(9-19-10)15-11-3-5-12(6-4-11)16-14(17)8-18-2/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide?
2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).