N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide

C16H23N3O3S — CID 171646939

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CSC2NC(=O)NCC2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-11-8-17-16(21)18-15(11)23-10-14(20)19(2)9-12-4-6-13(22-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H2,17,18,21)
InChIKeyAZQCAWHRZDVOGV-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.66
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide

N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (PubChem CID 171646939) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
PubChem CID171646939
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CSC2NC(=O)NCC2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-11-8-17-16(21)18-15(11)23-10-14(20)19(2)9-12-4-6-13(22-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H2,17,18,21)
InChIKeyAZQCAWHRZDVOGV-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (CID 171646939) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is COc1ccc(CN(C)C(=O)CSC2NC(=O)NCC2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The InChIKey is AZQCAWHRZDVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-8-17-16(21)18-15(11)23-10-14(20)19(2)9-12-4-6-13(22-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H2,17,18,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(5-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 171646939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).