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

C21H22N2O3S — CID 24620654

IUPACN-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)sc1C
InChIInChI=1S/C21H22N2O3S/c1-3-5-16-12-19(27-14(16)2)21(25)22-13-15-7-9-17(10-8-15)23-20(24)18-6-4-11-26-18/h4,6-12H,3,5,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPIZSRLBZAAMRQY-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.78
Rot. Bonds7

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

N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 24620654) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID24620654
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)sc1C
InChIInChI=1S/C21H22N2O3S/c1-3-5-16-12-19(27-14(16)2)21(25)22-13-15-7-9-17(10-8-15)23-20(24)18-6-4-11-26-18/h4,6-12H,3,5,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPIZSRLBZAAMRQY-UHFFFAOYSA-N
XLogP4.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
CID 33189454
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
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
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide (CID 24620654) is N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is CCCc1cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)sc1C.
What is the InChIKey of N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is PIZSRLBZAAMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-5-16-12-19(27-14(16)2)21(25)22-13-15-7-9-17(10-8-15)23-20(24)18-6-4-11-26-18/h4,6-12H,3,5,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24620654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).