N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide

C22H25ClN2O3S — CID 142393497

IUPACN-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
SMILESCC1OCc2sc(NC(=O)C3CCCCC3C)c(C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C22H25ClN2O3S/c1-12-5-3-4-6-16(12)20(26)25-22-19(18-13(2)28-11-17(18)29-22)21(27)24-15-9-7-14(23)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZWCBKHPWYLGYFM-UHFFFAOYSA-N
MW432.97 g/mol
LogP6.01
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide

N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide (PubChem CID 142393497) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
PubChem CID142393497
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC NameN-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
SMILESCC1OCc2sc(NC(=O)C3CCCCC3C)c(C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C22H25ClN2O3S/c1-12-5-3-4-6-16(12)20(26)25-22-19(18-13(2)28-11-17(18)29-22)21(27)24-15-9-7-14(23)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZWCBKHPWYLGYFM-UHFFFAOYSA-N
XLogP6.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.97
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide (CID 142393497) is N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide is CC1OCc2sc(NC(=O)C3CCCCC3C)c(C(=O)Nc3ccc(Cl)cc3)c21.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide?
The InChIKey is ZWCBKHPWYLGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-12-5-3-4-6-16(12)20(26)25-22-19(18-13(2)28-11-17(18)29-22)21(27)24-15-9-7-14(23)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide?
N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide has a molecular weight of 432.97 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide is sourced from PubChem (CID 142393497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).