N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H21N3O5S — CID 18117974

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H21N3O5S/c22-18(19-6-5-13-3-4-16-17(9-13)26-12-25-16)15-10-14(11-20-15)27(23,24)21-7-1-2-8-21/h3-4,9-11,20H,1-2,5-8,12H2,(H,19,22)
InChIKeyGNJGVGQMEPWPCH-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18117974) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18117974
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H21N3O5S/c22-18(19-6-5-13-3-4-16-17(9-13)26-12-25-16)15-10-14(11-20-15)27(23,24)21-7-1-2-8-21/h3-4,9-11,20H,1-2,5-8,12H2,(H,19,22)
InChIKeyGNJGVGQMEPWPCH-UHFFFAOYSA-N
XLogP1.50
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-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-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18143608
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629
N-[(4-fluoro-3-methylphenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 16580079
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89236665
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1252193
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3236436
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18117974) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)c[nH]1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is GNJGVGQMEPWPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c22-18(19-6-5-13-3-4-16-17(9-13)26-12-25-16)15-10-14(11-20-15)27(23,24)21-7-1-2-8-21/h3-4,9-11,20H,1-2,5-8,12H2,(H,19,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18117974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).