2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide

C19H24N4O3S2 — CID 8628422

IUPAC2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N4O3S2/c1-4-14-8-5-6-11-17(14)22-18(24)13-20-19(27)21-15-9-7-10-16(12-15)28(25,26)23(2)3/h5-12H,4,13H2,1-3H3,(H,22,24)(H2,20,21,27)
InChIKeyDATBYQKUUZCKDL-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.42
Rot. Bonds7

About 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide

2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 8628422) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
PubChem CID8628422
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N4O3S2/c1-4-14-8-5-6-11-17(14)22-18(24)13-20-19(27)21-15-9-7-10-16(12-15)28(25,26)23(2)3/h5-12H,4,13H2,1-3H3,(H,22,24)(H2,20,21,27)
InChIKeyDATBYQKUUZCKDL-UHFFFAOYSA-N
XLogP2.42
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(furan-2-ylmethyl)acetamide
CID 8561609
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
CID 8628429
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628442
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8656008
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea
CID 8655058

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide (CID 8628422) is 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is DATBYQKUUZCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-4-14-8-5-6-11-17(14)22-18(24)13-20-19(27)21-15-9-7-10-16(12-15)28(25,26)23(2)3/h5-12H,4,13H2,1-3H3,(H,22,24)(H2,20,21,27).
What are the key properties of 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide?
2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8628422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).