N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

C19H20N2O4S — CID 75768863

IUPACN-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(Cn2c(C(=O)NC3CCS(=O)(=O)C3)cc3occc32)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-2-4-14(5-3-13)11-21-16-6-8-25-18(16)10-17(21)19(22)20-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,20,22)
InChIKeyDZEIMJNZYRUNEW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.51
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 75768863) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID75768863
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(Cn2c(C(=O)NC3CCS(=O)(=O)C3)cc3occc32)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-2-4-14(5-3-13)11-21-16-6-8-25-18(16)10-17(21)19(22)20-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,20,22)
InChIKeyDZEIMJNZYRUNEW-UHFFFAOYSA-N
XLogP2.51
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-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-[(3S)-1,1-dioxothiolan-3-yl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 92714995
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366
5-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 82108858
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 35333649
N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 40643679
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 41337965
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111792353
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 75768863) is N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is Cc1ccc(Cn2c(C(=O)NC3CCS(=O)(=O)C3)cc3occc32)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DZEIMJNZYRUNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-2-4-14(5-3-13)11-21-16-6-8-25-18(16)10-17(21)19(22)20-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75768863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).