(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide

C22H24Cl2N2O4S — CID 16722628

IUPAC(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O4S/c23-16-2-6-21(25-13-16)26-22(27)18(11-14-7-9-30-10-8-14)15-1-5-20(19(24)12-15)31(28,29)17-3-4-17/h1-2,5-6,12-14,17-18H,3-4,7-11H2,(H,25,26,27)/t18-/m1/s1
InChIKeyMONCQDBVHCHJRB-GOSISDBHSA-N
MW483.42 g/mol
LogP4.86
Rot. Bonds7

About (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide

(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide (PubChem CID 16722628) has the molecular formula C22H24Cl2N2O4S and a molecular weight of 483.42 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
PubChem CID16722628
Molecular FormulaC22H24Cl2N2O4S
Molecular Weight483.42 g/mol
Exact Mass482.08
IUPAC Name(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O4S/c23-16-2-6-21(25-13-16)26-22(27)18(11-14-7-9-30-10-8-14)15-1-5-20(19(24)12-15)31(28,29)17-3-4-17/h1-2,5-6,12-14,17-18H,3-4,7-11H2,(H,25,26,27)/t18-/m1/s1
InChIKeyMONCQDBVHCHJRB-GOSISDBHSA-N
XLogP4.86
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide (CID 16722628) is (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide is O=C(Nc1ccc(Cl)cn1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)c(Cl)c1.
What is the InChIKey of (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide?
The InChIKey is MONCQDBVHCHJRB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4S/c23-16-2-6-21(25-13-16)26-22(27)18(11-14-7-9-30-10-8-14)15-1-5-20(19(24)12-15)31(28,29)17-3-4-17/h1-2,5-6,12-14,17-18H,3-4,7-11H2,(H,25,26,27)/t18-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide?
(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide has a molecular weight of 483.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 16722628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).