N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide

C26H30N2OS — CID 92693071

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C26H30N2OS/c1-16-9-21-5-3-4-6-22(21)28(16)24-8-7-23(30-24)25(29)27-17(2)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,17-20H,10-15H2,1-2H3,(H,27,29)/t17-,18?,19?,20?,26?/m1/s1
InChIKeySGLAIXZHCKMONB-ZFGQVMFLSA-N
MW418.61 g/mol
LogP6.34
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide (PubChem CID 92693071) has the molecular formula C26H30N2OS and a molecular weight of 418.61 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide
PubChem CID92693071
Molecular FormulaC26H30N2OS
Molecular Weight418.61 g/mol
Exact Mass418.21
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C26H30N2OS/c1-16-9-21-5-3-4-6-22(21)28(16)24-8-7-23(30-24)25(29)27-17(2)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,17-20H,10-15H2,1-2H3,(H,27,29)/t17-,18?,19?,20?,26?/m1/s1
InChIKeySGLAIXZHCKMONB-ZFGQVMFLSA-N
XLogP6.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
N-[(1S)-1-(1-adamantyl)ethyl]-5-nitrothiophene-2-carboxamide
CID 7695383
N-[(1R)-1-(1-adamantyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7695401
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 75363372
N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 7371510
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7581021

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide (CID 92693071) is N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide is Cc1cc2ccccc2n1-c1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide?
The InChIKey is SGLAIXZHCKMONB-ZFGQVMFLSA-N. The full InChI is InChI=1S/C26H30N2OS/c1-16-9-21-5-3-4-6-22(21)28(16)24-8-7-23(30-24)25(29)27-17(2)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,17-20H,10-15H2,1-2H3,(H,27,29)/t17-,18?,19?,20?,26?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide has a molecular weight of 418.61 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-5-(2-methylindol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 92693071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).