[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate

C15H23N3O3S3 — CID 3251537

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSC(=S)N(C)C)cc1
InChIInChI=1S/C15H23N3O3S3/c1-5-18(6-2)24(20,21)13-9-7-12(8-10-13)16-14(19)11-23-15(22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19)
InChIKeyMWUJAYHSUVFDNP-UHFFFAOYSA-N
MW389.57 g/mol
LogP2.24
Rot. Bonds7

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate (PubChem CID 3251537) has the molecular formula C15H23N3O3S3 and a molecular weight of 389.57 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
PubChem CID3251537
Molecular FormulaC15H23N3O3S3
Molecular Weight389.57 g/mol
Exact Mass389.09
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSC(=S)N(C)C)cc1
InChIInChI=1S/C15H23N3O3S3/c1-5-18(6-2)24(20,21)13-9-7-12(8-10-13)16-14(19)11-23-15(22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19)
InChIKeyMWUJAYHSUVFDNP-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2969943
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901828
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 29479540

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate (CID 3251537) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSC(=S)N(C)C)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate?
The InChIKey is MWUJAYHSUVFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S3/c1-5-18(6-2)24(20,21)13-9-7-12(8-10-13)16-14(19)11-23-15(22)17(3)4/h7-10H,5-6,11H2,1-4H3,(H,16,19).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate has a molecular weight of 389.57 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 3251537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).