2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide

C13H19ClN2OS — CID 120831411

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-10(15-2)7-16-13(17)9-18-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyDIKIVILQGDKETF-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.30
Rot. Bonds7

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide (PubChem CID 120831411) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
PubChem CID120831411
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-10(15-2)7-16-13(17)9-18-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyDIKIVILQGDKETF-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031428
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447961
2-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220680
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]pentanoic acid
CID 65223654
N-(3-aminobutyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119495488
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
5-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 82846214
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
CID 103918794
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 119605978
4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43092004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide (CID 120831411) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide is CNC(C)CNC(=O)CSCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide?
The InChIKey is DIKIVILQGDKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10(15-2)7-16-13(17)9-18-8-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide has a molecular weight of 286.83 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120831411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).