N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C22H26N2O3S — CID 17468523

IUPACN-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2O3S/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-21(26)18-4-5-19(28-18)24-20(25)17-3-2-6-27-17/h2-6,13-16H,7-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyYOLPGSWFHWGFIW-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.93
Rot. Bonds5

About N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 17468523) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID17468523
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2O3S/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-21(26)18-4-5-19(28-18)24-20(25)17-3-2-6-27-17/h2-6,13-16H,7-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyYOLPGSWFHWGFIW-UHFFFAOYSA-N
XLogP4.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3320064
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 17468523) is N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is YOLPGSWFHWGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-21(26)18-4-5-19(28-18)24-20(25)17-3-2-6-27-17/h2-6,13-16H,7-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17468523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).