N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H25NO2S — CID 90635759

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H25NO2S/c1-22(14-18-13-16-7-2-3-8-17(16)15-24-18)20(23)21(10-4-5-11-21)19-9-6-12-25-19/h2-3,6-9,12,18H,4-5,10-11,13-15H2,1H3
InChIKeyHMXDMNNTBRHMEH-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.16
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 90635759) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID90635759
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H25NO2S/c1-22(14-18-13-16-7-2-3-8-17(16)15-24-18)20(23)21(10-4-5-11-21)19-9-6-12-25-19/h2-3,6-9,12,18H,4-5,10-11,13-15H2,1H3
InChIKeyHMXDMNNTBRHMEH-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 119172241
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
CID 90635862
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,2-diphenylacetamide
CID 90635704
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 90635671
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435357
N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119659795
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
CID 90635825
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-ethoxyphenyl)-N-methylacetamide
CID 90635698
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
CID 90635760
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-1,3-benzothiazole-2-carboxamide
CID 100752083

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 90635759) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide is CN(CC1Cc2ccccc2CO1)C(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is HMXDMNNTBRHMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-22(14-18-13-16-7-2-3-8-17(16)15-24-18)20(23)21(10-4-5-11-21)19-9-6-12-25-19/h2-3,6-9,12,18H,4-5,10-11,13-15H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 355.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90635759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).