N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide

C15H16ClN3OS — CID 103769444

IUPACN-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H16ClN3OS/c16-14-15(18-12-4-2-1-3-11(12)17-14)19-13(20)9-10-5-7-21-8-6-10/h1-4,10H,5-9H2,(H,18,19,20)
InChIKeyYFGLZBHUCUTYAH-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.76
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide

N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide (PubChem CID 103769444) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
PubChem CID103769444
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H16ClN3OS/c16-14-15(18-12-4-2-1-3-11(12)17-14)19-13(20)9-10-5-7-21-8-6-10/h1-4,10H,5-9H2,(H,18,19,20)
InChIKeyYFGLZBHUCUTYAH-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide
CID 114049005
N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
CID 114048982
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 114051060
3-[[2-(thian-4-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 83146201
N-[2-(1-chloroethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83137934
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
N-[3-(chloromethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83138099
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide (CID 103769444) is N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide?
The InChIKey is YFGLZBHUCUTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-14-15(18-12-4-2-1-3-11(12)17-14)19-13(20)9-10-5-7-21-8-6-10/h1-4,10H,5-9H2,(H,18,19,20).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide?
N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide has a molecular weight of 321.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 103769444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).