N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide

C16H24N2O2S — CID 91829099

IUPACN-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)C1CCSCC1
InChIInChI=1S/C16H24N2O2S/c1-18(14-7-9-21-10-8-14)12-16(19)17-11-13-5-3-4-6-15(13)20-2/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyKAGHGKLNQKYYEQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.14
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide

N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide (PubChem CID 91829099) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
PubChem CID91829099
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)C1CCSCC1
InChIInChI=1S/C16H24N2O2S/c1-18(14-7-9-21-10-8-14)12-16(19)17-11-13-5-3-4-6-15(13)20-2/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyKAGHGKLNQKYYEQ-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 66216510
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[cyclopentyl(methyl)amino]-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 112840926

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide (CID 91829099) is N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide is COc1ccccc1CNC(=O)CN(C)C1CCSCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide?
The InChIKey is KAGHGKLNQKYYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(14-7-9-21-10-8-14)12-16(19)17-11-13-5-3-4-6-15(13)20-2/h3-6,14H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide is sourced from PubChem (CID 91829099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).