3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

C21H28N2O4S — CID 5194496

IUPAC3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-6-17(7-2)28(25,26)18-11-12-20(27-5)19(14-18)22-21(24)15-9-8-10-16(13-15)23(3)4/h8-14,17H,6-7H2,1-5H3,(H,22,24)
InChIKeyDNMIJLSLCFJMTJ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.98
Rot. Bonds8

About 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (PubChem CID 5194496) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
PubChem CID5194496
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-6-17(7-2)28(25,26)18-11-12-20(27-5)19(14-18)22-21(24)15-9-8-10-16(13-15)23(3)4/h8-14,17H,6-7H2,1-5H3,(H,22,24)
InChIKeyDNMIJLSLCFJMTJ-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259
3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5170083
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
CID 3270673
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (CID 5194496) is 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is CCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The InChIKey is DNMIJLSLCFJMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-17(7-2)28(25,26)18-11-12-20(27-5)19(14-18)22-21(24)15-9-8-10-16(13-15)23(3)4/h8-14,17H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 5194496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).