N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide

C23H23N3O4S2 — CID 3308515

IUPACN-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-2-30-20-12-8-19(9-13-20)26-32(28,29)21-14-10-18(11-15-21)24-23(31)25-22(27)16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H2,24,25,27,31)
InChIKeyUCLLVMCZQOUBBR-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.94
Rot. Bonds8

About N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide

N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 3308515) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID3308515
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-2-30-20-12-8-19(9-13-20)26-32(28,29)21-14-10-18(11-15-21)24-23(31)25-22(27)16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H2,24,25,27,31)
InChIKeyUCLLVMCZQOUBBR-UHFFFAOYSA-N
XLogP3.94
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910
3-phenylpropyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4934759
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitrosobenzamide
CID 89096368
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3306109
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide
CID 4934033
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25043088

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide (CID 3308515) is N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is UCLLVMCZQOUBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-2-30-20-12-8-19(9-13-20)26-32(28,29)21-14-10-18(11-15-21)24-23(31)25-22(27)16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H2,24,25,27,31).
What are the key properties of N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 469.59 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 3308515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).