N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide

C18H19NO4S — CID 77089381

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)s1
InChIInChI=1S/C18H19NO4S/c1-21-10-14-5-7-17(24-14)18(20)19(13-3-4-13)9-12-2-6-15-16(8-12)23-11-22-15/h2,5-8,13H,3-4,9-11H2,1H3
InChIKeyLEOIKUBMDQDDIA-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.43
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 77089381) 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-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID77089381
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)s1
InChIInChI=1S/C18H19NO4S/c1-21-10-14-5-7-17(24-14)18(20)19(13-3-4-13)9-12-2-6-15-16(8-12)23-11-22-15/h2,5-8,13H,3-4,9-11H2,1H3
InChIKeyLEOIKUBMDQDDIA-UHFFFAOYSA-N
XLogP3.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42723918
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119318289

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide (CID 77089381) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is LEOIKUBMDQDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-21-10-14-5-7-17(24-14)18(20)19(13-3-4-13)9-12-2-6-15-16(8-12)23-11-22-15/h2,5-8,13H,3-4,9-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.43, 6 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-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 77089381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).