N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C22H24N2O3S — CID 71902145

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1Cc1cccs1
InChIInChI=1S/C22H24N2O3S/c1-15-11-19(16(2)24(15)14-18-5-4-10-28-18)22(25)23(3)13-17-6-7-20-21(12-17)27-9-8-26-20/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyYXHJYORLXJIEGP-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.26
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 71902145) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID71902145
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1Cc1cccs1
InChIInChI=1S/C22H24N2O3S/c1-15-11-19(16(2)24(15)14-18-5-4-10-28-18)22(25)23(3)13-17-6-7-20-21(12-17)27-9-8-26-20/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKeyYXHJYORLXJIEGP-UHFFFAOYSA-N
XLogP4.26
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 109400153
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 2508883
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55380922
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2659559
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86951558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 71902145) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1Cc1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is YXHJYORLXJIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-11-19(16(2)24(15)14-18-5-4-10-28-18)22(25)23(3)13-17-6-7-20-21(12-17)27-9-8-26-20/h4-7,10-12H,8-9,13-14H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 71902145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).