N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide

C21H26N2O5S — CID 17147003

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-15(2)28-18-6-3-5-16(13-18)21(24)23-17-8-10-20(11-9-17)29(25,26)22-14-19-7-4-12-27-19/h3,5-6,8-11,13,15,19,22H,4,7,12,14H2,1-2H3,(H,23,24)
InChIKeyDMPIRDGCZCHEAF-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.18
Rot. Bonds8

About N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 17147003) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
PubChem CID17147003
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-15(2)28-18-6-3-5-16(13-18)21(24)23-17-8-10-20(11-9-17)29(25,26)22-14-19-7-4-12-27-19/h3,5-6,8-11,13,15,19,22H,4,7,12,14H2,1-2H3,(H,23,24)
InChIKeyDMPIRDGCZCHEAF-UHFFFAOYSA-N
XLogP3.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 41300861
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide (CID 17147003) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)c1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is DMPIRDGCZCHEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15(2)28-18-6-3-5-16(13-18)21(24)23-17-8-10-20(11-9-17)29(25,26)22-14-19-7-4-12-27-19/h3,5-6,8-11,13,15,19,22H,4,7,12,14H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 418.52 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17147003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).