N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide

C19H24N2O3S2 — CID 9107968

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-19(2,3)21-26(23,24)17-7-5-6-16(12-17)20-18(22)15-10-8-14(9-11-15)13-25-4/h5-12,21H,13H2,1-4H3,(H,20,22)
InChIKeyMYZDTDIJIDXDTO-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.88
Rot. Bonds6

About N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide

N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 9107968) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID9107968
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-19(2,3)21-26(23,24)17-7-5-6-16(12-17)20-18(22)15-10-8-14(9-11-15)13-25-4/h5-12,21H,13H2,1-4H3,(H,20,22)
InChIKeyMYZDTDIJIDXDTO-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 119465571
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18271385
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9371915

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide (CID 9107968) is N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is MYZDTDIJIDXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-19(2,3)21-26(23,24)17-7-5-6-16(12-17)20-18(22)15-10-8-14(9-11-15)13-25-4/h5-12,21H,13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide?
N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9107968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).