2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide

C16H26N2OS — CID 78814923

IUPAC2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)17-11-8-12-18(4)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19)
InChIKeyNSLDTHCKHZQHRC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.16
Rot. Bonds7

About 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide

2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 78814923) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID78814923
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)17-11-8-12-18(4)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19)
InChIKeyNSLDTHCKHZQHRC-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide (CID 78814923) is 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)CSC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is NSLDTHCKHZQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)20-13-15(19)17-11-8-12-18(4)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19).
What are the key properties of 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 78814923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).