N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide

C18H25NOS — CID 42701018

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CC1CC2C=CC1C2)C(=O)Cc1cccs1
InChIInChI=1S/C18H25NOS/c1-2-3-8-19(18(20)12-17-5-4-9-21-17)13-16-11-14-6-7-15(16)10-14/h4-7,9,14-16H,2-3,8,10-13H2,1H3
InChIKeyQAPPKKWTWQJICL-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.13
Rot. Bonds7

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide (PubChem CID 42701018) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide
PubChem CID42701018
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CC1CC2C=CC1C2)C(=O)Cc1cccs1
InChIInChI=1S/C18H25NOS/c1-2-3-8-19(18(20)12-17-5-4-9-21-17)13-16-11-14-6-7-15(16)10-14/h4-7,9,14-16H,2-3,8,10-13H2,1H3
InChIKeyQAPPKKWTWQJICL-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
CID 82103669
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112995358
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
3-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-methylpropanoic acid
CID 119208406
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42733567

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide (CID 42701018) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide is CCCCN(CC1CC2C=CC1C2)C(=O)Cc1cccs1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide?
The InChIKey is QAPPKKWTWQJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-2-3-8-19(18(20)12-17-5-4-9-21-17)13-16-11-14-6-7-15(16)10-14/h4-7,9,14-16H,2-3,8,10-13H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide has a molecular weight of 303.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42701018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).