2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide

C18H26N2O2S — CID 56788135

IUPAC2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)NC1CCSCC1
InChIInChI=1S/C18H26N2O2S/c1-2-6-16(18(22)19-15-9-11-23-12-10-15)20-17(21)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyXFPLNFJFEYCHQG-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.53
Rot. Bonds7

About 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide

2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide (PubChem CID 56788135) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide
PubChem CID56788135
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)NC1CCSCC1
InChIInChI=1S/C18H26N2O2S/c1-2-6-16(18(22)19-15-9-11-23-12-10-15)20-17(21)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyXFPLNFJFEYCHQG-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917
N-[(2S)-1-oxo-1-(1,4-thiazepan-4-yl)pentan-2-yl]-2-phenylacetamide
CID 95171633
N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 95767147
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
4-methylsulfanyl-2-[(2-phenylacetyl)amino]-N-piperidin-3-ylbutanamide
CID 119427928
N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119539209
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
CID 119550888
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide (CID 56788135) is 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide is CCCC(NC(=O)Cc1ccccc1)C(=O)NC1CCSCC1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide?
The InChIKey is XFPLNFJFEYCHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-6-16(18(22)19-15-9-11-23-12-10-15)20-17(21)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide?
2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide has a molecular weight of 334.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide is sourced from PubChem (CID 56788135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).