N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide

C20H20N2O3S — CID 51327731

IUPACN-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1C
InChIInChI=1S/C20H20N2O3S/c1-3-17-13(2)11-18(26-17)20(24)21-12-14-6-8-15(9-7-14)22-19(23)16-5-4-10-25-16/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWVBLFTOKNNTQMK-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.39
Rot. Bonds6

About N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 51327731) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID51327731
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1C
InChIInChI=1S/C20H20N2O3S/c1-3-17-13(2)11-18(26-17)20(24)21-12-14-6-8-15(9-7-14)22-19(23)16-5-4-10-25-16/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWVBLFTOKNNTQMK-UHFFFAOYSA-N
XLogP4.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 24620654
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
CID 76867602
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (CID 51327731) is N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is CCc1sc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1C.
What is the InChIKey of N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is WVBLFTOKNNTQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-17-13(2)11-18(26-17)20(24)21-12-14-6-8-15(9-7-14)22-19(23)16-5-4-10-25-16/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51327731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).