N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

C21H22N4O4S — CID 4533086

IUPACN-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N4O4S/c1-3-22-18(26)13-17-20(28)24(15-9-11-16(29-2)12-10-15)21(30)25(17)23-19(27)14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNTIJZJFPMRDYGE-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.87
Rot. Bonds7

About N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 4533086) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID4533086
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N4O4S/c1-3-22-18(26)13-17-20(28)24(15-9-11-16(29-2)12-10-15)21(30)25(17)23-19(27)14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNTIJZJFPMRDYGE-UHFFFAOYSA-N
XLogP1.87
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide 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

4-methoxy-N-[3-(4-methoxyphenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4247232
4-bromo-N-[3-(4-methoxyphenyl)-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4609168
3-fluoro-N-[(5S)-3-(4-methoxyphenyl)-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 1384931
N-[5-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-methoxybenzamide
CID 4247107
N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 25407191
4-bromo-N-[3-(4-chlorophenyl)-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 5235238
N-[5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-3-carboxamide
CID 4649158
ethyl 4-[[2-[3-[(3-methoxybenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4061325
ethyl 4-[(4R)-3-[(3-fluorobenzoyl)amino]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 1046466
methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 5079824
N-[3-(4-chlorophenyl)-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide
CID 4027935
4-chloro-N-[4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4116473

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 4533086) is N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is CCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is NTIJZJFPMRDYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-3-22-18(26)13-17-20(28)24(15-9-11-16(29-2)12-10-15)21(30)25(17)23-19(27)14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 4533086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).