2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide

C16H25ClN2O3S2 — CID 78780498

IUPAC2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O3S2/c1-6-19(7-2)24(21,22)14-10-12(8-9-13(14)17)18-15(20)11-23-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyFTQGFFPFAWQDKD-UHFFFAOYSA-N
MW392.97 g/mol
LogP3.84
Rot. Bonds7

About 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide

2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 78780498) has the molecular formula C16H25ClN2O3S2 and a molecular weight of 392.97 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID78780498
Molecular FormulaC16H25ClN2O3S2
Molecular Weight392.97 g/mol
Exact Mass392.10
IUPAC Name2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O3S2/c1-6-19(7-2)24(21,22)14-10-12(8-9-13(14)17)18-15(20)11-23-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyFTQGFFPFAWQDKD-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9426542
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide (CID 78780498) is 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSC(C)(C)C)ccc1Cl.
What is the InChIKey of 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is FTQGFFPFAWQDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S2/c1-6-19(7-2)24(21,22)14-10-12(8-9-13(14)17)18-15(20)11-23-16(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,20).
What are the key properties of 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 392.97 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 78780498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).