N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C22H29FN2O3S — CID 60571425

IUPACN-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H29FN2O3S/c1-16(2)15-21(24-29(27,28)20-11-5-17(3)6-12-20)22(26)25(4)14-13-18-7-9-19(23)10-8-18/h5-12,16,21,24H,13-15H2,1-4H3
InChIKeyDFVUYGORINCDFV-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.53
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 60571425) has the molecular formula C22H29FN2O3S and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID60571425
Molecular FormulaC22H29FN2O3S
Molecular Weight420.55 g/mol
Exact Mass420.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H29FN2O3S/c1-16(2)15-21(24-29(27,28)20-11-5-17(3)6-12-20)22(26)25(4)14-13-18-7-9-19(23)10-8-18/h5-12,16,21,24H,13-15H2,1-4H3
InChIKeyDFVUYGORINCDFV-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878247
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 51336511
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 60559293
3-[2-[(4-fluorophenyl)sulfonylamino]butanoyl-methylamino]propanoic acid
CID 110496389
(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 7973013
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 51080633
(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 94081674
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 60571425) is N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)CCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is DFVUYGORINCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3S/c1-16(2)15-21(24-29(27,28)20-11-5-17(3)6-12-20)22(26)25(4)14-13-18-7-9-19(23)10-8-18/h5-12,16,21,24H,13-15H2,1-4H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 420.55 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 60571425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).