N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide

C24H25N3O4S2 — CID 4934132

IUPACN-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-16-5-4-6-17(2)23(16)27-33(29,30)21-13-9-19(10-14-21)25-24(32)26-22(28)15-18-7-11-20(31-3)12-8-18/h4-14,27H,15H2,1-3H3,(H2,25,26,28,32)
InChIKeyBNPLOTWOOUEQDM-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.17
Rot. Bonds7

About N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 4934132) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID4934132
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-16-5-4-6-17(2)23(16)27-33(29,30)21-13-9-19(10-14-21)25-24(32)26-22(28)15-18-7-11-20(31-3)12-8-18/h4-14,27H,15H2,1-3H3,(H2,25,26,28,32)
InChIKeyBNPLOTWOOUEQDM-UHFFFAOYSA-N
XLogP4.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.17
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

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 3317798
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 4958972
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3308515
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
2-(4-chlorophenyl)-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 4936881
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55864978
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3306109

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 4934132) is N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1.
What is the InChIKey of N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is BNPLOTWOOUEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-16-5-4-6-17(2)23(16)27-33(29,30)21-13-9-19(10-14-21)25-24(32)26-22(28)15-18-7-11-20(31-3)12-8-18/h4-14,27H,15H2,1-3H3,(H2,25,26,28,32).
What are the key properties of N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 483.62 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4934132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).