N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C21H28N2O2S — CID 7654880

IUPACN-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2S/c1-14-4-2-3-5-18(14)12-26-13-19(24)22-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H2,22,23,24,25)
InChIKeyBLHHUVOTSGRDCF-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.02
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 7654880) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID7654880
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2S/c1-14-4-2-3-5-18(14)12-26-13-19(24)22-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H2,22,23,24,25)
InChIKeyBLHHUVOTSGRDCF-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9347931
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 4811630
N-(1-adamantylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 4811811
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
CID 4821581
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529209
N-(1-adamantylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866608
N-(1-adamantylcarbamoyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55364697

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 7654880) is N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is BLHHUVOTSGRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-14-4-2-3-5-18(14)12-26-13-19(24)22-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 372.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 7654880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).