N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

C15H21N3O3S — CID 78365672

IUPACN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSC2NC(=O)CC(C)N2)cc1
InChIInChI=1S/C15H21N3O3S/c1-10-7-13(19)18-15(17-10)22-9-14(20)16-8-11-3-5-12(21-2)6-4-11/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRHNOMPBZKAWYQT-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.83
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (PubChem CID 78365672) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
PubChem CID78365672
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSC2NC(=O)CC(C)N2)cc1
InChIInChI=1S/C15H21N3O3S/c1-10-7-13(19)18-15(17-10)22-9-14(20)16-8-11-3-5-12(21-2)6-4-11/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRHNOMPBZKAWYQT-UHFFFAOYSA-N
XLogP0.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 78497102
2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
CID 11904696
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N-[(3-methoxyphenyl)methyl]-2-[6-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1,3-diazinan-4-yl]acetamide
CID 74912583
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78311462
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465577
N-[(4-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 24700714
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (CID 78365672) is N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is COc1ccc(CNC(=O)CSC2NC(=O)CC(C)N2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The InChIKey is RHNOMPBZKAWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10-7-13(19)18-15(17-10)22-9-14(20)16-8-11-3-5-12(21-2)6-4-11/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78365672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).