N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide

C18H22N2O3S2 — CID 17310557

IUPACN-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-14-9-11-15(12-10-14)25(22,23)19-4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyOORZDZYMXUKSEQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.74
Rot. Bonds8

About N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide

N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide (PubChem CID 17310557) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
PubChem CID17310557
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-14-9-11-15(12-10-14)25(22,23)19-4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyOORZDZYMXUKSEQ-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
2-(2-methoxyethylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 25239822
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10724138
2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2218483
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide (CID 17310557) is N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide is CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide?
The InChIKey is OORZDZYMXUKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-14-9-11-15(12-10-14)25(22,23)19-4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide?
N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide has a molecular weight of 378.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide is sourced from PubChem (CID 17310557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).