N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide

C15H22N2O3S — CID 64988148

IUPACN-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CC2)c(SC)cc1OC
InChIInChI=1S/C15H22N2O3S/c1-19-12-6-10(14(21-3)7-13(12)20-2)8-16-9-15(18)17-11-4-5-11/h6-7,11,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyWDFPYBOMTCQGLR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.79
Rot. Bonds8

About N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide

N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide (PubChem CID 64988148) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide
PubChem CID64988148
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CC2)c(SC)cc1OC
InChIInChI=1S/C15H22N2O3S/c1-19-12-6-10(14(21-3)7-13(12)20-2)8-16-9-15(18)17-11-4-5-11/h6-7,11,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyWDFPYBOMTCQGLR-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
CID 64988404
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119137986
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115646551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696344
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 64988249
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417415
N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 43401901
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64988879

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide (CID 64988148) is N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide is COc1cc(CNCC(=O)NC2CC2)c(SC)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide?
The InChIKey is WDFPYBOMTCQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-19-12-6-10(14(21-3)7-13(12)20-2)8-16-9-15(18)17-11-4-5-11/h6-7,11,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide?
N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]acetamide is sourced from PubChem (CID 64988148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).