(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide

C22H29ClN2O3S — CID 71456882

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-15(2)13-21(22(24)26)25(14-17-5-7-18(8-6-17)16(3)4)29(27,28)20-11-9-19(23)10-12-20/h5-12,15-16,21H,13-14H2,1-4H3,(H2,24,26)/t21-/m1/s1
InChIKeyCOPIVTLAYAMRME-OAQYLSRUSA-N
MW437.01 g/mol
LogP4.55
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide (PubChem CID 71456882) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
PubChem CID71456882
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-15(2)13-21(22(24)26)25(14-17-5-7-18(8-6-17)16(3)4)29(27,28)20-11-9-19(23)10-12-20/h5-12,15-16,21H,13-14H2,1-4H3,(H2,24,26)/t21-/m1/s1
InChIKeyCOPIVTLAYAMRME-OAQYLSRUSA-N
XLogP4.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-{[4-(4-chlorophenyl)phenyl]methyl}-N-hydroxy-1,1-dioxo-1$l^{6},2-thiazinane-3-carboxamide
CID 11349945
(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 deriv. B9
CID 23645795
hydroxamate deriv. B13
CID 23645799
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
CID 71449733
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
(2R)-2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71456883
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide (CID 71456882) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(Cc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide?
The InChIKey is COPIVTLAYAMRME-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-15(2)13-21(22(24)26)25(14-17-5-7-18(8-6-17)16(3)4)29(27,28)20-11-9-19(23)10-12-20/h5-12,15-16,21H,13-14H2,1-4H3,(H2,24,26)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide has a molecular weight of 437.01 g/mol, XLogP of 4.55, 9 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-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 71456882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).