N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide

C21H27NO4S — CID 55798141

IUPACN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4S/c1-15(2)26-14-18-7-5-17(6-8-18)13-22-21(23)19-9-11-20(12-10-19)27(24,25)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyYDZAKKZNSNXANJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.72
Rot. Bonds8

About N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide

N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55798141) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55798141
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4S/c1-15(2)26-14-18-7-5-17(6-8-18)13-22-21(23)19-9-11-20(12-10-19)27(24,25)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyYDZAKKZNSNXANJ-UHFFFAOYSA-N
XLogP3.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 55761276
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55584493
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]furan-3-carboxamide
CID 47043832
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-propan-2-ylsulfonylbenzamide
CID 46491168
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide (CID 55798141) is N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide is CC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is YDZAKKZNSNXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-15(2)26-14-18-7-5-17(6-8-18)13-22-21(23)19-9-11-20(12-10-19)27(24,25)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23).
What are the key properties of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide?
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 389.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55798141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).