N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C21H21N3O4S — CID 55782529

IUPACN-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1
InChIInChI=1S/C21H21N3O4S/c1-4-22-19(25)14-8-7-12(2)15(11-14)23-21(27)18-13(3)10-17(29-18)24-20(26)16-6-5-9-28-16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLNPTYUPQOFROAB-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.21
Rot. Bonds6

About N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55782529) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55782529
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1
InChIInChI=1S/C21H21N3O4S/c1-4-22-19(25)14-8-7-12(2)15(11-14)23-21(27)18-13(3)10-17(29-18)24-20(26)16-6-5-9-28-16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLNPTYUPQOFROAB-UHFFFAOYSA-N
XLogP4.21
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34112240
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55554074

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55782529) is N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1.
What is the InChIKey of N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is LNPTYUPQOFROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-4-22-19(25)14-8-7-12(2)15(11-14)23-21(27)18-13(3)10-17(29-18)24-20(26)16-6-5-9-28-16/h5-11H,4H2,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).