N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide

C18H30N2OS — CID 56850010

IUPACN-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(C)CCSc1ccccc1
InChIInChI=1S/C18H30N2OS/c1-6-10-16(17(21)19-18(2,3)4)20(5)13-14-22-15-11-8-7-9-12-15/h7-9,11-12,16H,6,10,13-14H2,1-5H3,(H,19,21)
InChIKeyQLBYCHQKVJCLMQ-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.79
Rot. Bonds8

About N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide

N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide (PubChem CID 56850010) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide
PubChem CID56850010
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(C)CCSc1ccccc1
InChIInChI=1S/C18H30N2OS/c1-6-10-16(17(21)19-18(2,3)4)20(5)13-14-22-15-11-8-7-9-12-15/h7-9,11-12,16H,6,10,13-14H2,1-5H3,(H,19,21)
InChIKeyQLBYCHQKVJCLMQ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-N-(2-methylpropyl)-1-(2-phenylsulfanylacetyl)pyrrolidine-2-carboxamide
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N-methyl-2-[4-[[methyl(2-phenylsulfanylethyl)amino]methyl]piperidin-1-yl]acetamide
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CID 2889127
3-Methyl-4-(4-(phenylthio)butanoyl)piperazin-2-one
CID 44116504
(4S)-1-cyclopentyl-N-ethyl-4-{[(phenylthio)acetyl]amino}-L-prolinamide
CID 74241969
N-tert-butyl-2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
CID 17457200
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide?
The IUPAC name of N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide (CID 56850010) is N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide.
What is the SMILES notation for N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide?
The canonical SMILES for N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide is CCCC(C(=O)NC(C)(C)C)N(C)CCSc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide?
The InChIKey is QLBYCHQKVJCLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-6-10-16(17(21)19-18(2,3)4)20(5)13-14-22-15-11-8-7-9-12-15/h7-9,11-12,16H,6,10,13-14H2,1-5H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide?
N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide has a molecular weight of 322.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide is sourced from PubChem (CID 56850010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).