N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide

C18H16FNO2S — CID 25398079

IUPACN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)18(16-4-2-12-23-16)20-17(21)10-9-15-3-1-11-22-15/h1-8,11-12,18H,9-10H2,(H,20,21)/t18-/m0/s1
InChIKeyIYZKTCBMQCHISU-SFHVURJKSA-N
MW329.40 g/mol
LogP4.32
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide (PubChem CID 25398079) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
PubChem CID25398079
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)18(16-4-2-12-23-16)20-17(21)10-9-15-3-1-11-22-15/h1-8,11-12,18H,9-10H2,(H,20,21)/t18-/m0/s1
InChIKeyIYZKTCBMQCHISU-SFHVURJKSA-N
XLogP4.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
CID 40803903
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18269944
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
CID 17494432
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
CID 110281761
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide (CID 25398079) is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The InChIKey is IYZKTCBMQCHISU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)18(16-4-2-12-23-16)20-17(21)10-9-15-3-1-11-22-15/h1-8,11-12,18H,9-10H2,(H,20,21)/t18-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 25398079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).