(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide

C20H22ClN3O3S — CID 71458732

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide
SMILESCCCC[C@H](C(N)=O)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-2-3-4-19(20(23)25)24(14-16-7-5-15(13-22)6-8-16)28(26,27)18-11-9-17(21)10-12-18/h5-12,19H,2-4,14H2,1H3,(H2,23,25)/t19-/m1/s1
InChIKeySNAMCTPKQISJER-LJQANCHMSA-N
MW419.93 g/mol
LogP3.45
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide (PubChem CID 71458732) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide
PubChem CID71458732
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide
SMILESCCCC[C@H](C(N)=O)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-2-3-4-19(20(23)25)24(14-16-7-5-15(13-22)6-8-16)28(26,27)18-11-9-17(21)10-12-18/h5-12,19H,2-4,14H2,1H3,(H2,23,25)/t19-/m1/s1
InChIKeySNAMCTPKQISJER-LJQANCHMSA-N
XLogP3.45
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide (CID 71458732) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide is CCCC[C@H](C(N)=O)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide?
The InChIKey is SNAMCTPKQISJER-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-2-3-4-19(20(23)25)24(14-16-7-5-15(13-22)6-8-16)28(26,27)18-11-9-17(21)10-12-18/h5-12,19H,2-4,14H2,1H3,(H2,23,25)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide has a molecular weight of 419.93 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide is sourced from PubChem (CID 71458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).