2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide

C19H26N4O4S2 — CID 19971234

IUPAC2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)(C)c2cc[nH]c2)cc1S(=O)(=O)NC(=S)NC
InChIInChI=1S/C19H26N4O4S2/c1-5-27-15-7-6-13(10-16(15)29(25,26)23-18(28)20-4)11-17(24)22-19(2,3)14-8-9-21-12-14/h6-10,12,21H,5,11H2,1-4H3,(H,22,24)(H2,20,23,28)
InChIKeyILDDQSDZNCGKPS-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.79
Rot. Bonds8

About 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide

2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide (PubChem CID 19971234) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
PubChem CID19971234
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)(C)c2cc[nH]c2)cc1S(=O)(=O)NC(=S)NC
InChIInChI=1S/C19H26N4O4S2/c1-5-27-15-7-6-13(10-16(15)29(25,26)23-18(28)20-4)11-17(24)22-19(2,3)14-8-9-21-12-14/h6-10,12,21H,5,11H2,1-4H3,(H,22,24)(H2,20,23,28)
InChIKeyILDDQSDZNCGKPS-UHFFFAOYSA-N
XLogP1.79
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide 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

2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
CID 19971248
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide
CID 19971142
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1H-pyrrol-2-yl)propyl]acetamide
CID 19971071
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 19971228
2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[2-(2H-1,3-thiazol-3-yl)propan-2-yl]acetamide
CID 19971063
N-[2-(furan-2-yl)propan-2-yl]-2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]acetamide
CID 19971226
5-tert-butyl-2-methoxy-N-[1-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]propan-2-yl]benzamide
CID 18474351
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971229
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 15390628
5-chloro-2-methoxy-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide
CID 23553792
sodium (5-chloro-2-methoxybenzoyl)-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]azanide
CID 23697157

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide (CID 19971234) is 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide is CCOc1ccc(CC(=O)NC(C)(C)c2cc[nH]c2)cc1S(=O)(=O)NC(=S)NC.
What is the InChIKey of 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide?
The InChIKey is ILDDQSDZNCGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-5-27-15-7-6-13(10-16(15)29(25,26)23-18(28)20-4)11-17(24)22-19(2,3)14-8-9-21-12-14/h6-10,12,21H,5,11H2,1-4H3,(H,22,24)(H2,20,23,28).
What are the key properties of 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide?
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide has a molecular weight of 438.58 g/mol, XLogP of 1.79, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 19971234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).