N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C23H24N2O3S — CID 55510046

IUPACN-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2ccc(NC(=O)c3ccco3)s2)C2CC2)cc1
InChIInChI=1S/C23H24N2O3S/c1-15(2)17-7-5-16(6-8-17)14-25(18-9-10-18)23(27)20-11-12-21(29-20)24-22(26)19-4-3-13-28-19/h3-8,11-13,15,18H,9-10,14H2,1-2H3,(H,24,26)
InChIKeyHFRGYEABLRWYTQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.52
Rot. Bonds7

About N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55510046) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55510046
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2ccc(NC(=O)c3ccco3)s2)C2CC2)cc1
InChIInChI=1S/C23H24N2O3S/c1-15(2)17-7-5-16(6-8-17)14-25(18-9-10-18)23(27)20-11-12-21(29-20)24-22(26)19-4-3-13-28-19/h3-8,11-13,15,18H,9-10,14H2,1-2H3,(H,24,26)
InChIKeyHFRGYEABLRWYTQ-UHFFFAOYSA-N
XLogP5.52
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511428
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55510046) is N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is CC(C)c1ccc(CN(C(=O)c2ccc(NC(=O)c3ccco3)s2)C2CC2)cc1.
What is the InChIKey of N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is HFRGYEABLRWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15(2)17-7-5-16(6-8-17)14-25(18-9-10-18)23(27)20-11-12-21(29-20)24-22(26)19-4-3-13-28-19/h3-8,11-13,15,18H,9-10,14H2,1-2H3,(H,24,26).
What are the key properties of N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55510046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).