N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide

C21H19FN2O2S — CID 87006965

IUPACN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H19FN2O2S/c22-18-8-7-17(23-20(25)9-6-16-10-11-27-14-16)13-19(18)24-21(26)12-15-4-2-1-3-5-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,25)(H,24,26)
InChIKeyYPTVEHCTDCPRMO-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.64
Rot. Bonds7

About N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide (PubChem CID 87006965) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
PubChem CID87006965
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H19FN2O2S/c22-18-8-7-17(23-20(25)9-6-16-10-11-27-14-16)13-19(18)24-21(26)12-15-4-2-1-3-5-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,25)(H,24,26)
InChIKeyYPTVEHCTDCPRMO-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510
N-[5-[(4-bromophenyl)methylamino]-2-fluorophenyl]-3-phenylpropanamide
CID 163286469
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 119289645
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide (CID 87006965) is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is YPTVEHCTDCPRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-18-8-7-17(23-20(25)9-6-16-10-11-27-14-16)13-19(18)24-21(26)12-15-4-2-1-3-5-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide?
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 87006965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).