N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H22N2O4S — CID 55588228

IUPACN-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13(2)27-16-8-6-15(7-9-16)12-22-21(25)19-14(3)11-18(28-19)23-20(24)17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMIYXDOYGAANAFO-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.62
Rot. Bonds7

About N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55588228) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55588228
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H22N2O4S/c1-13(2)27-16-8-6-15(7-9-16)12-22-21(25)19-14(3)11-18(28-19)23-20(24)17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMIYXDOYGAANAFO-UHFFFAOYSA-N
XLogP4.62
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625
N-[4-methyl-5-[[4-(pyridin-3-ylmethoxy)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55708149
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[[6-(2-methoxyethoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55744413
N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55846633
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47864283
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55588228) is N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is MIYXDOYGAANAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-13(2)27-16-8-6-15(7-9-16)12-22-21(25)19-14(3)11-18(28-19)23-20(24)17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55588228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).