N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide

C18H21N3O4S2 — CID 3317798

IUPACN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-21(2)27(23,24)16-10-6-14(7-11-16)19-18(26)20-17(22)12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H2,19,20,22,26)
InChIKeyMHZWRQYKAOKNCW-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.00
Rot. Bonds6

About N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 3317798) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID3317798
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-21(2)27(23,24)16-10-6-14(7-11-16)19-18(26)20-17(22)12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H2,19,20,22,26)
InChIKeyMHZWRQYKAOKNCW-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methylbutanamide
CID 17194244
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
ethyl 2-[4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]phenyl]acetate
CID 100794256
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 3317798) is N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MHZWRQYKAOKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-21(2)27(23,24)16-10-6-14(7-11-16)19-18(26)20-17(22)12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H2,19,20,22,26).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3317798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).