N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide

C21H29NOS — CID 7929515

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NOS/c1-14(21-10-16-7-17(11-21)9-18(8-16)12-21)22-20(23)19-5-3-15(4-6-19)13-24-2/h3-6,14,16-18H,7-13H2,1-2H3,(H,22,23)/t14-,16?,17?,18?,21?/m1/s1
InChIKeyUVVKQWBYQWFPSD-RWLLOJOVSA-N
MW343.54 g/mol
LogP4.88
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide

N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 7929515) has the molecular formula C21H29NOS and a molecular weight of 343.54 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID7929515
Molecular FormulaC21H29NOS
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NOS/c1-14(21-10-16-7-17(11-21)9-18(8-16)12-21)22-20(23)19-5-3-15(4-6-19)13-24-2/h3-6,14,16-18H,7-13H2,1-2H3,(H,22,23)/t14-,16?,17?,18?,21?/m1/s1
InChIKeyUVVKQWBYQWFPSD-RWLLOJOVSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 7689154
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123064
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide (CID 7929515) is N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is UVVKQWBYQWFPSD-RWLLOJOVSA-N. The full InChI is InChI=1S/C21H29NOS/c1-14(21-10-16-7-17(11-21)9-18(8-16)12-21)22-20(23)19-5-3-15(4-6-19)13-24-2/h3-6,14,16-18H,7-13H2,1-2H3,(H,22,23)/t14-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 343.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 7929515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).