N-(1-benzothiophen-2-yl)adamantane-2-carboxamide

C19H21NOS — CID 151004349

IUPACN-(1-benzothiophen-2-yl)adamantane-2-carboxamide
SMILESO=C(Nc1cc2ccccc2s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H21NOS/c21-19(20-17-10-13-3-1-2-4-16(13)22-17)18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,10-12,14-15,18H,5-9H2,(H,20,21)
InChIKeyLUTVHPWUBHJIEC-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.91
Rot. Bonds2

About N-(1-benzothiophen-2-yl)adamantane-2-carboxamide

N-(1-benzothiophen-2-yl)adamantane-2-carboxamide (PubChem CID 151004349) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)adamantane-2-carboxamide
PubChem CID151004349
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-(1-benzothiophen-2-yl)adamantane-2-carboxamide
SMILESO=C(Nc1cc2ccccc2s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H21NOS/c21-19(20-17-10-13-3-1-2-4-16(13)22-17)18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,10-12,14-15,18H,5-9H2,(H,20,21)
InChIKeyLUTVHPWUBHJIEC-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-2-yl)cyclooctanecarboxamide
CID 150772406
N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
CID 119422484
1-benzothiophen-2-ylthiourea
CID 54554781
2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404
N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
N-methyl-1-benzothiophen-2-amine
CID 18186472
[2-(1-benzothiophen-2-ylamino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid
CID 14151783
sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride
CID 173419506
N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
CID 51339061
N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
CID 81098384
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)adamantane-2-carboxamide?
The IUPAC name of N-(1-benzothiophen-2-yl)adamantane-2-carboxamide (CID 151004349) is N-(1-benzothiophen-2-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)adamantane-2-carboxamide is O=C(Nc1cc2ccccc2s1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(1-benzothiophen-2-yl)adamantane-2-carboxamide?
The InChIKey is LUTVHPWUBHJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c21-19(20-17-10-13-3-1-2-4-16(13)22-17)18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,10-12,14-15,18H,5-9H2,(H,20,21).
What are the key properties of N-(1-benzothiophen-2-yl)adamantane-2-carboxamide?
N-(1-benzothiophen-2-yl)adamantane-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)adamantane-2-carboxamide is sourced from PubChem (CID 151004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).