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

C19H27N3O3S — CID 74610883

IUPACN-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESCOc1cccc(CSC2NC(=O)CC(CC(=O)NC3CCCC3)N2)c1
InChIInChI=1S/C19H27N3O3S/c1-25-16-8-4-5-13(9-16)12-26-19-21-15(11-18(24)22-19)10-17(23)20-14-6-2-3-7-14/h4-5,8-9,14-15,19,21H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZEZOVVHTUWLCEE-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.14
Rot. Bonds7

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

N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 74610883) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID74610883
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESCOc1cccc(CSC2NC(=O)CC(CC(=O)NC3CCCC3)N2)c1
InChIInChI=1S/C19H27N3O3S/c1-25-16-8-4-5-13(9-16)12-26-19-21-15(11-18(24)22-19)10-17(23)20-14-6-2-3-7-14/h4-5,8-9,14-15,19,21H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZEZOVVHTUWLCEE-UHFFFAOYSA-N
XLogP2.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
CID 74527023
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 74610983
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465566
2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465577
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-cyclohexyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615890
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-prop-2-enylacetamide
CID 85465370
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465322
N-cyclopropyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-5H-pyrimidin-5-yl]acetamide
CID 74611019

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (CID 74610883) is N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is COc1cccc(CSC2NC(=O)CC(CC(=O)NC3CCCC3)N2)c1.
What is the InChIKey of N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is ZEZOVVHTUWLCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-25-16-8-4-5-13(9-16)12-26-19-21-15(11-18(24)22-19)10-17(23)20-14-6-2-3-7-14/h4-5,8-9,14-15,19,21H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 74610883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).