N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide

C21H20N2O3S — CID 51327723

IUPACN-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCC(Sc1ccccc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15(27-18-6-3-2-4-7-18)20(24)22-14-16-9-11-17(12-10-16)23-21(25)19-8-5-13-26-19/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyFLCBFENYUJHKSS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 51327723) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID51327723
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCC(Sc1ccccc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15(27-18-6-3-2-4-7-18)20(24)22-14-16-9-11-17(12-10-16)23-21(25)19-8-5-13-26-19/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyFLCBFENYUJHKSS-UHFFFAOYSA-N
XLogP4.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]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-[4-[[[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111676676
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[1-(2-methylphenyl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 42935867

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide (CID 51327723) is N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide is CC(Sc1ccccc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is FLCBFENYUJHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15(27-18-6-3-2-4-7-18)20(24)22-14-16-9-11-17(12-10-16)23-21(25)19-8-5-13-26-19/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51327723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).