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

C12H14FN3O2S — CID 78457431

IUPACN-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESO=C(CSC1CCNC(=O)N1)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN3O2S/c13-8-2-1-3-9(6-8)15-10(17)7-19-11-4-5-14-12(18)16-11/h1-3,6,11H,4-5,7H2,(H,15,17)(H2,14,16,18)
InChIKeyYMGBVKLMVZLDIO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.53
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (PubChem CID 78457431) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
PubChem CID78457431
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESO=C(CSC1CCNC(=O)N1)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN3O2S/c13-8-2-1-3-9(6-8)15-10(17)7-19-11-4-5-14-12(18)16-11/h1-3,6,11H,4-5,7H2,(H,15,17)(H2,14,16,18)
InChIKeyYMGBVKLMVZLDIO-UHFFFAOYSA-N
XLogP1.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2R,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(3-fluorophenyl)acetamide
CID 51713901
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 9347394
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 1041144
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
CID 102682225
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (CID 78457431) is N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is O=C(CSC1CCNC(=O)N1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The InChIKey is YMGBVKLMVZLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c13-8-2-1-3-9(6-8)15-10(17)7-19-11-4-5-14-12(18)16-11/h1-3,6,11H,4-5,7H2,(H,15,17)(H2,14,16,18).
What are the key properties of N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 78457431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).