N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide

C13H19NO2S — CID 75448549

IUPACN-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H19NO2S/c1-16-9-11-6-7-17-12(11)13(15)14-8-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyPDWXGRBRGUJYDJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.81
Rot. Bonds5

About N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide

N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 75448549) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
PubChem CID75448549
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H19NO2S/c1-16-9-11-6-7-17-12(11)13(15)14-8-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyPDWXGRBRGUJYDJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
3-[2-(cyclohexylmethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77007017
2-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526415
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 110007408
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
CID 120537327

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide (CID 75448549) is N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide is COCc1ccsc1C(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is PDWXGRBRGUJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-9-11-6-7-17-12(11)13(15)14-8-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide?
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 75448549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).