N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide

C19H23N3O3S — CID 55601048

IUPACN-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide
SMILESC=CCn1c(C)cc(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)c1C
InChIInChI=1S/C19H23N3O3S/c1-4-10-21-14(2)11-18(15(21)3)19(23)13-22(16-7-8-16)26(24,25)17-6-5-9-20-12-17/h4-6,9,11-12,16H,1,7-8,10,13H2,2-3H3
InChIKeyARCVJKOVIRJMMX-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.72
Rot. Bonds8

About N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide

N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide (PubChem CID 55601048) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide
PubChem CID55601048
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide
SMILESC=CCn1c(C)cc(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)c1C
InChIInChI=1S/C19H23N3O3S/c1-4-10-21-14(2)11-18(15(21)3)19(23)13-22(16-7-8-16)26(24,25)17-6-5-9-20-12-17/h4-6,9,11-12,16H,1,7-8,10,13H2,2-3H3
InChIKeyARCVJKOVIRJMMX-UHFFFAOYSA-N
XLogP2.72
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide (CID 55601048) is N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide is C=CCn1c(C)cc(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)c1C.
What is the InChIKey of N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide?
The InChIKey is ARCVJKOVIRJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-10-21-14(2)11-18(15(21)3)19(23)13-22(16-7-8-16)26(24,25)17-6-5-9-20-12-17/h4-6,9,11-12,16H,1,7-8,10,13H2,2-3H3.
What are the key properties of N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide?
N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55601048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).