N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C21H25NO2S — CID 51262138

IUPACN-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C21H25NO2S/c1-24-20-7-3-2-5-17(20)13-22(14-18-6-4-10-25-18)21(23)19-12-15-8-9-16(19)11-15/h2-7,10,15-16,19H,8-9,11-14H2,1H3
InChIKeyLJOHJADEUDTEPO-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.72
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51262138) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51262138
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C21H25NO2S/c1-24-20-7-3-2-5-17(20)13-22(14-18-6-4-10-25-18)21(23)19-12-15-8-9-16(19)11-15/h2-7,10,15-16,19H,8-9,11-14H2,1H3
InChIKeyLJOHJADEUDTEPO-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 51262138) is N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LJOHJADEUDTEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-24-20-7-3-2-5-17(20)13-22(14-18-6-4-10-25-18)21(23)19-12-15-8-9-16(19)11-15/h2-7,10,15-16,19H,8-9,11-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 355.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51262138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).