3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide

C19H24N2O2S — CID 91007675

IUPAC3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide
SMILESCC(Cc1ccccc1)C(=O)NC(C)C(Cc1cccs1)C(N)=O
InChIInChI=1S/C19H24N2O2S/c1-13(11-15-7-4-3-5-8-15)19(23)21-14(2)17(18(20)22)12-16-9-6-10-24-16/h3-10,13-14,17H,11-12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyXQKOTEQZLUKXNL-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.78
Rot. Bonds8

About 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide

3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide (PubChem CID 91007675) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide
PubChem CID91007675
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide
SMILESCC(Cc1ccccc1)C(=O)NC(C)C(Cc1cccs1)C(N)=O
InChIInChI=1S/C19H24N2O2S/c1-13(11-15-7-4-3-5-8-15)19(23)21-14(2)17(18(20)22)12-16-9-6-10-24-16/h3-10,13-14,17H,11-12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyXQKOTEQZLUKXNL-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 23321929
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
4-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]pent-4-enamide
CID 143947067
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide (CID 91007675) is 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide is CC(Cc1ccccc1)C(=O)NC(C)C(Cc1cccs1)C(N)=O.
What is the InChIKey of 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide?
The InChIKey is XQKOTEQZLUKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(11-15-7-4-3-5-8-15)19(23)21-14(2)17(18(20)22)12-16-9-6-10-24-16/h3-10,13-14,17H,11-12H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide?
3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide has a molecular weight of 344.48 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-phenylpropanoyl)amino]-2-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 91007675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).