N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide

C18H18N2O4S — CID 3710460

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CN(c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H18N2O4S/c1-18(2)9-20(17(18)22)12-5-6-25-15(12)16(21)19-8-11-3-4-13-14(7-11)24-10-23-13/h3-7H,8-10H2,1-2H3,(H,19,21)
InChIKeyJBYPKNUWNMHBEH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.78
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide (PubChem CID 3710460) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide
PubChem CID3710460
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CN(c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H18N2O4S/c1-18(2)9-20(17(18)22)12-5-6-25-15(12)16(21)19-8-11-3-4-13-14(7-11)24-10-23-13/h3-7H,8-10H2,1-2H3,(H,19,21)
InChIKeyJBYPKNUWNMHBEH-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)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)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388104
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8869235
5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 82344120
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-bromobenzamide
CID 19701963
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 1192955

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide (CID 3710460) is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide is CC1(C)CN(c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide?
The InChIKey is JBYPKNUWNMHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-18(2)9-20(17(18)22)12-5-6-25-15(12)16(21)19-8-11-3-4-13-14(7-11)24-10-23-13/h3-7H,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3710460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).