(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide

C19H21ClF2N2O3S — CID 71453379

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O3S/c1-12(2)9-18(19(23)25)24(11-13-3-8-16(21)17(22)10-13)28(26,27)15-6-4-14(20)5-7-15/h3-8,10,12,18H,9,11H2,1-2H3,(H2,23,25)/t18-/m1/s1
InChIKeyYUXAYDYPQVQENO-GOSISDBHSA-N
MW430.90 g/mol
LogP3.71
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide (PubChem CID 71453379) has the molecular formula C19H21ClF2N2O3S and a molecular weight of 430.90 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
PubChem CID71453379
Molecular FormulaC19H21ClF2N2O3S
Molecular Weight430.90 g/mol
Exact Mass430.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O3S/c1-12(2)9-18(19(23)25)24(11-13-3-8-16(21)17(22)10-13)28(26,27)15-6-4-14(20)5-7-15/h3-8,10,12,18H,9,11H2,1-2H3,(H2,23,25)/t18-/m1/s1
InChIKeyYUXAYDYPQVQENO-GOSISDBHSA-N
XLogP3.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide with MolForge

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Related Compounds

Hydroxamate 23
CID 23645530
Hydroxamate 29
CID 10766622
(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-4-methylpentanamide
CID 67199793
Hydroxamate 44
CID 10027203
hydroxamate deriv. B22
CID 10455715
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. D1
CID 23645830
hydroxamate deriv. B13
CID 23645799
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
CID 71449733
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide (CID 71453379) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide?
The InChIKey is YUXAYDYPQVQENO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClF2N2O3S/c1-12(2)9-18(19(23)25)24(11-13-3-8-16(21)17(22)10-13)28(26,27)15-6-4-14(20)5-7-15/h3-8,10,12,18H,9,11H2,1-2H3,(H2,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide has a molecular weight of 430.90 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 71453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).