N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

C19H24N2O4S — CID 42925003

IUPACN-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)C3CCS(=O)(=O)C3)c2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-11-18(19(22)20(3)16-9-10-26(23,24)12-16)14(2)21(13)15-5-7-17(25-4)8-6-15/h5-8,11,16H,9-10,12H2,1-4H3
InChIKeyTYRHFEDAVPAFEX-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.36
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 42925003) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID42925003
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)C3CCS(=O)(=O)C3)c2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-13-11-18(19(22)20(3)16-9-10-26(23,24)12-16)14(2)21(13)15-5-7-17(25-4)8-6-15/h5-8,11,16H,9-10,12H2,1-4H3
InChIKeyTYRHFEDAVPAFEX-UHFFFAOYSA-N
XLogP2.36
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-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]-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 37249177
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 42958266
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
CID 43053942
N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18132097
N-[(3R)-1,1-dioxothiolan-3-yl]-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 9344385

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 42925003) is N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)N(C)C3CCS(=O)(=O)C3)c2C)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is TYRHFEDAVPAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-11-18(19(22)20(3)16-9-10-26(23,24)12-16)14(2)21(13)15-5-7-17(25-4)8-6-15/h5-8,11,16H,9-10,12H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 42925003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).