N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide

C20H17FN2O2S — CID 118246917

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1F)C(=O)c1cccs1
InChIInChI=1S/C20H17FN2O2S/c21-16-10-5-4-9-15(16)13-23(20(25)17-11-6-12-26-17)18(19(22)24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H2,22,24)/t18-/m1/s1
InChIKeyHTTRDUTYZFFYCU-GOSISDBHSA-N
MW368.43 g/mol
LogP3.76
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 118246917) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID118246917
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1F)C(=O)c1cccs1
InChIInChI=1S/C20H17FN2O2S/c21-16-10-5-4-9-15(16)13-23(20(25)17-11-6-12-26-17)18(19(22)24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H2,22,24)/t18-/m1/s1
InChIKeyHTTRDUTYZFFYCU-GOSISDBHSA-N
XLogP3.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 118246686
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
CID 144888104
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide (CID 118246917) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide is NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1F)C(=O)c1cccs1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is HTTRDUTYZFFYCU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-16-10-5-4-9-15(16)13-23(20(25)17-11-6-12-26-17)18(19(22)24)14-7-2-1-3-8-14/h1-12,18H,13H2,(H2,22,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118246917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).