(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide

C17H19FN2O2S — CID 95590923

IUPAC(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
SMILESNC(=O)[C@@H](CNC(=O)CCc1cccs1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21)/t13-/m1/s1
InChIKeyHCMXQXDFCUCZSQ-CYBMUJFWSA-N
MW334.42 g/mol
LogP2.28
Rot. Bonds8

About (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide

(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide (PubChem CID 95590923) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
PubChem CID95590923
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
SMILESNC(=O)[C@@H](CNC(=O)CCc1cccs1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21)/t13-/m1/s1
InChIKeyHCMXQXDFCUCZSQ-CYBMUJFWSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529201
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 60587594
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2S)-2-[[(2-cyclohexyloxyacetyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95583426
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
CID 56800017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide (CID 95590923) is (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide is NC(=O)[C@@H](CNC(=O)CCc1cccs1)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide?
The InChIKey is HCMXQXDFCUCZSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide?
(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide is sourced from PubChem (CID 95590923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).