7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

C15H14ClNO3S — CID 32582610

IUPAC7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H14ClNO3S/c1-2-17(8-11-4-3-5-21-11)15(18)10-6-12(16)14-13(7-10)19-9-20-14/h3-7H,2,8-9H2,1H3
InChIKeyIGZQQXYRSDVZPA-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.79
Rot. Bonds4

About 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 32582610) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID32582610
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H14ClNO3S/c1-2-17(8-11-4-3-5-21-11)15(18)10-6-12(16)14-13(7-10)19-9-20-14/h3-7H,2,8-9H2,1H3
InChIKeyIGZQQXYRSDVZPA-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 60651938
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
2-chloro-N-ethyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62248621
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 43030249
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
2-[(7-chloro-1,3-benzodioxole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62818777
2-[(2-amino-2-oxoethyl)-(7-chloro-1,3-benzodioxole-5-carbonyl)amino]acetic acid
CID 107433941
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372
7-chloro-N-ethyl-N-(4-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 51198670

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 32582610) is 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is CCN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is IGZQQXYRSDVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-17(8-11-4-3-5-21-11)15(18)10-6-12(16)14-13(7-10)19-9-20-14/h3-7H,2,8-9H2,1H3.
What are the key properties of 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 323.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 32582610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).