N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide

C19H17FN2O3S — CID 17403858

IUPACN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H17FN2O3S/c20-14-7-5-13(6-8-14)18(16-4-2-12-26-16)22-17(23)9-10-21-19(24)15-3-1-11-25-15/h1-8,11-12,18H,9-10H2,(H,21,24)(H,22,23)
InChIKeySJFPSGUCAAFQNE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.51
Rot. Bonds7

About N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 17403858) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID17403858
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H17FN2O3S/c20-14-7-5-13(6-8-14)18(16-4-2-12-26-16)22-17(23)9-10-21-19(24)15-3-1-11-25-15/h1-8,11-12,18H,9-10H2,(H,21,24)(H,22,23)
InChIKeySJFPSGUCAAFQNE-UHFFFAOYSA-N
XLogP3.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589785
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
CID 40803903
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18269944
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 17403858) is N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is SJFPSGUCAAFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-14-7-5-13(6-8-14)18(16-4-2-12-26-16)22-17(23)9-10-21-19(24)15-3-1-11-25-15/h1-8,11-12,18H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 17403858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).