2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide

C19H30N2OS — CID 124735933

IUPAC2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCC[C@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1SC)c1ccccc1
InChIInChI=1S/C19H30N2OS/c1-4-15(16-9-6-5-7-10-16)13-20-19(22)14-21(2)17-11-8-12-18(17)23-3/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyOGFANUUYNQTQGY-KBAYOESNSA-N
MW334.53 g/mol
LogP3.51
Rot. Bonds8

About 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide

2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide (PubChem CID 124735933) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide
PubChem CID124735933
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCC[C@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1SC)c1ccccc1
InChIInChI=1S/C19H30N2OS/c1-4-15(16-9-6-5-7-10-16)13-20-19(22)14-21(2)17-11-8-12-18(17)23-3/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyOGFANUUYNQTQGY-KBAYOESNSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide (CID 124735933) is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide is CC[C@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1SC)c1ccccc1.
What is the InChIKey of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide?
The InChIKey is OGFANUUYNQTQGY-KBAYOESNSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-4-15(16-9-6-5-7-10-16)13-20-19(22)14-21(2)17-11-8-12-18(17)23-3/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)/t15-,17-,18-/m1/s1.
What are the key properties of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide?
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide has a molecular weight of 334.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-[(2S)-2-phenylbutyl]acetamide is sourced from PubChem (CID 124735933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).