N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

C21H24N2O4S2 — CID 55477836

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C21H24N2O4S2/c24-21(19-8-1-2-9-20(19)28-14-17-6-4-12-27-17)22-16-5-3-7-18(13-16)29(25,26)23-15-10-11-15/h1-3,5,7-9,13,15,17,23H,4,6,10-12,14H2,(H,22,24)
InChIKeySHGZENTVIQKDKV-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.65
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55477836) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55477836
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C21H24N2O4S2/c24-21(19-8-1-2-9-20(19)28-14-17-6-4-12-27-17)22-16-5-3-7-18(13-16)29(25,26)23-15-10-11-15/h1-3,5,7-9,13,15,17,23H,4,6,10-12,14H2,(H,22,24)
InChIKeySHGZENTVIQKDKV-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 40986092
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(4-methoxy-3-sulfamoylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55395683
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 40796962
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55477836) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1SCC1CCCO1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is SHGZENTVIQKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c24-21(19-8-1-2-9-20(19)28-14-17-6-4-12-27-17)22-16-5-3-7-18(13-16)29(25,26)23-15-10-11-15/h1-3,5,7-9,13,15,17,23H,4,6,10-12,14H2,(H,22,24).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 432.57 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55477836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).