N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide

C22H30N2O3S — CID 55396360

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C)c1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-7-15(2)21(18-11-9-8-10-12-18)22(25)23-20-14-19(13-16(3)17(20)4)28(26,27)24(5)6/h8-15,21H,7H2,1-6H3,(H,23,25)
InChIKeyFCYRNKDBUDTFJX-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.32
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide (PubChem CID 55396360) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide
PubChem CID55396360
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C)c1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-7-15(2)21(18-11-9-8-10-12-18)22(25)23-20-14-19(13-16(3)17(20)4)28(26,27)24(5)6/h8-15,21H,7H2,1-6H3,(H,23,25)
InChIKeyFCYRNKDBUDTFJX-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenoxypropanamide
CID 43032566
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 9257354
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 39288353
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
CID 39098073
4-methoxy-N,N-dimethyl-3-[(3-methyl-2-phenylpentanoyl)amino]benzamide
CID 60537571
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide (CID 55396360) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C)c1ccccc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide?
The InChIKey is FCYRNKDBUDTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-7-15(2)21(18-11-9-8-10-12-18)22(25)23-20-14-19(13-16(3)17(20)4)28(26,27)24(5)6/h8-15,21H,7H2,1-6H3,(H,23,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide has a molecular weight of 402.56 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 55396360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).