2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide

C17H22N2OS — CID 43708998

IUPAC2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-12(2)15(18)17(20)19-16(14-10-7-11-21-14)13-8-5-4-6-9-13/h4-12,15-16H,3,18H2,1-2H3,(H,19,20)
InChIKeyJDPQDDOVPJXRGZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.33
Rot. Bonds6

About 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide

2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide (PubChem CID 43708998) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
PubChem CID43708998
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-3-12(2)15(18)17(20)19-16(14-10-7-11-21-14)13-8-5-4-6-9-13/h4-12,15-16H,3,18H2,1-2H3,(H,19,20)
InChIKeyJDPQDDOVPJXRGZ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide (CID 43708998) is 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide is CCC(C)C(N)C(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The InChIKey is JDPQDDOVPJXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-12(2)15(18)17(20)19-16(14-10-7-11-21-14)13-8-5-4-6-9-13/h4-12,15-16H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide has a molecular weight of 302.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 43708998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).