N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide

C14H18Cl2N2OS — CID 80600328

IUPACN-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCCS1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c15-11-5-3-6-12(16)14(11)18-13(19)9-17-8-10-4-1-2-7-20-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19)
InChIKeyJIPYXDVUYUBLKN-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.81
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide

N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide (PubChem CID 80600328) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
PubChem CID80600328
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCCS1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c15-11-5-3-6-12(16)14(11)18-13(19)9-17-8-10-4-1-2-7-20-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19)
InChIKeyJIPYXDVUYUBLKN-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585451
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585441
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60855933
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 3074823
2-chloro-6-(thian-2-ylmethylamino)benzenecarbothioamide
CID 80601293
N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide
CID 80723780

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide (CID 80600328) is N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide is O=C(CNCC1CCCCS1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide?
The InChIKey is JIPYXDVUYUBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c15-11-5-3-6-12(16)14(11)18-13(19)9-17-8-10-4-1-2-7-20-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide?
N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide has a molecular weight of 333.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide is sourced from PubChem (CID 80600328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).