(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C19H22F2N2O3S — CID 7973013

IUPAC(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-12(2)10-18(19(24)22-17-9-6-14(20)11-16(17)21)23-27(25,26)15-7-4-13(3)5-8-15/h4-9,11-12,18,23H,10H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyJFZDVVNEQPXUAO-GOSISDBHSA-N
MW396.46 g/mol
LogP3.60
Rot. Bonds7

About (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 7973013) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID7973013
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-12(2)10-18(19(24)22-17-9-6-14(20)11-16(17)21)23-27(25,26)15-7-4-13(3)5-8-15/h4-9,11-12,18,23H,10H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyJFZDVVNEQPXUAO-GOSISDBHSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
CID 20864821
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 17473642
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
(2R)-N-(4-bromo-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41331452
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51857607
N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 55677311
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 7973013) is (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is JFZDVVNEQPXUAO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-12(2)10-18(19(24)22-17-9-6-14(20)11-16(17)21)23-27(25,26)15-7-4-13(3)5-8-15/h4-9,11-12,18,23H,10H2,1-3H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 396.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 7973013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).