2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide

C24H28N2O2S — CID 54787416

IUPAC2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O
InChIInChI=1S/C24H28N2O2S/c1-14-19(10-15-5-3-2-4-6-15)29-22(20(14)21(25)27)26-23(28)24-11-16-7-17(12-24)9-18(8-16)13-24/h2-6,16-18H,7-13H2,1H3,(H2,25,27)(H,26,28)
InChIKeyFHPNIWRFBOTQSG-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.90
Rot. Bonds5

About 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide

2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide (PubChem CID 54787416) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
PubChem CID54787416
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O
InChIInChI=1S/C24H28N2O2S/c1-14-19(10-15-5-3-2-4-6-15)29-22(20(14)21(25)27)26-23(28)24-11-16-7-17(12-24)9-18(8-16)13-24/h2-6,16-18H,7-13H2,1H3,(H2,25,27)(H,26,28)
InChIKeyFHPNIWRFBOTQSG-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 687585
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1013520
5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
CID 54789656
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1293810
5-benzyl-2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 4506502
5-benzyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 1178231
N-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioyl]furan-2-carboxamide
CID 4631871
5-benzyl-2-[3-(4-fluorophenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1303900
5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 3418422
5-benzyl-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1276315

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide (CID 54787416) is 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccccc2)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(N)=O.
What is the InChIKey of 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide?
The InChIKey is FHPNIWRFBOTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-14-19(10-15-5-3-2-4-6-15)29-22(20(14)21(25)27)26-23(28)24-11-16-7-17(12-24)9-18(8-16)13-24/h2-6,16-18H,7-13H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide?
2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 54787416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).