N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

C18H19NO4S — CID 50966435

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C18H19NO4S/c1-19(10-12-4-5-13-15(9-12)23-11-22-13)18(20)17-7-6-16(24-17)14-3-2-8-21-14/h4-7,9,14H,2-3,8,10-11H2,1H3
InChIKeyBPBGXLSIZXNVOY-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.60
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 50966435) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID50966435
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C18H19NO4S/c1-19(10-12-4-5-13-15(9-12)23-11-22-13)18(20)17-7-6-16(24-17)14-3-2-8-21-14/h4-7,9,14H,2-3,8,10-11H2,1H3
InChIKeyBPBGXLSIZXNVOY-UHFFFAOYSA-N
XLogP3.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72925065
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97153924
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 50966435) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2CCCO2)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is BPBGXLSIZXNVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-19(10-12-4-5-13-15(9-12)23-11-22-13)18(20)17-7-6-16(24-17)14-3-2-8-21-14/h4-7,9,14H,2-3,8,10-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 50966435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).