N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C22H29N3O4S — CID 4045216

IUPACN-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)13-20(24-21(26)19-12-7-6-9-16(19)3)22(27)23-17-10-8-11-18(14-17)30(28,29)25(4)5/h6-12,14-15,20H,13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyKMYGUFLMGDHQOE-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.03
Rot. Bonds8

About N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 4045216) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID4045216
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H29N3O4S/c1-15(2)13-20(24-21(26)19-12-7-6-9-16(19)3)22(27)23-17-10-8-11-18(14-17)30(28,29)25(4)5/h6-12,14-15,20H,13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyKMYGUFLMGDHQOE-UHFFFAOYSA-N
XLogP3.03
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 4045216) is N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is KMYGUFLMGDHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)13-20(24-21(26)19-12-7-6-9-16(19)3)22(27)23-17-10-8-11-18(14-17)30(28,29)25(4)5/h6-12,14-15,20H,13H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 4045216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).