N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide

C19H24N2O3S2 — CID 46440684

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCSc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-13(2)21-26(23,24)18-11-7-16(8-12-18)19(22)20-14(3)15-5-9-17(25-4)10-6-15/h5-14,21H,1-4H3,(H,20,22)
InChIKeyXEPCTFDPIDPMMI-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46440684) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID46440684
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCSc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-13(2)21-26(23,24)18-11-7-16(8-12-18)19(22)20-14(3)15-5-9-17(25-4)10-6-15/h5-14,21H,1-4H3,(H,20,22)
InChIKeyXEPCTFDPIDPMMI-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28552015
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 46440684) is N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide is CSc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XEPCTFDPIDPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-13(2)21-26(23,24)18-11-7-16(8-12-18)19(22)20-14(3)15-5-9-17(25-4)10-6-15/h5-14,21H,1-4H3,(H,20,22).
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46440684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).