N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide

C17H23NOS — CID 32958884

IUPACN-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c1-11-2-3-20-15(11)10-18-16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,12-14H,4-10H2,1H3,(H,18,19)
InChIKeyQSWATXOCBBSTLZ-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.89
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide

N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 32958884) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
PubChem CID32958884
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c1-11-2-3-20-15(11)10-18-16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,12-14H,4-10H2,1H3,(H,18,19)
InChIKeyQSWATXOCBBSTLZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 134056530
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride
CID 53350965
2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221563
3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
CID 115184750
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
1-(2,3-dihydro-1H-inden-1-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47163887
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide (CID 32958884) is N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide is Cc1ccsc1CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is QSWATXOCBBSTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11-2-3-20-15(11)10-18-16(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,12-14H,4-10H2,1H3,(H,18,19).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 32958884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).