(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide

C22H27ClN2O4S — CID 58245604

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(=O)Cc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-15(2)12-21(22(24)27)25(30(28,29)20-10-8-19(23)9-11-20)14-18-6-4-17(5-7-18)13-16(3)26/h4-11,15,21H,12-14H2,1-3H3,(H2,24,27)/t21-/m1/s1
InChIKeyJBNMALOUUGECQG-OAQYLSRUSA-N
MW450.99 g/mol
LogP3.56
Rot. Bonds10

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide (PubChem CID 58245604) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
PubChem CID58245604
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(=O)Cc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-15(2)12-21(22(24)27)25(30(28,29)20-10-8-19(23)9-11-20)14-18-6-4-17(5-7-18)13-16(3)26/h4-11,15,21H,12-14H2,1-3H3,(H2,24,27)/t21-/m1/s1
InChIKeyJBNMALOUUGECQG-OAQYLSRUSA-N
XLogP3.56
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-acetamidophenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 10238477
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 86765168
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-[[[3-(dimethylamino)-2-oxopropyl]amino]methyl]phenyl]methyl]amino]-4-methylpentanamide
CID 67197068
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(methylaminomethyl)phenyl]methyl]amino]-4-methylpentanoic acid
CID 154081171
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 67195389
(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide
CID 10289591
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
CID 150685288
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
(2R)-2-[(4-chlorophenyl)sulfonyl-[[1-(cyclopentanecarbonyl)-2,3-dihydroindol-5-yl]methyl]amino]-5-methylhexanamide
CID 143206427
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide (CID 58245604) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide is CC(=O)Cc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide?
The InChIKey is JBNMALOUUGECQG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-15(2)12-21(22(24)27)25(30(28,29)20-10-8-19(23)9-11-20)14-18-6-4-17(5-7-18)13-16(3)26/h4-11,15,21H,12-14H2,1-3H3,(H2,24,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide has a molecular weight of 450.99 g/mol, XLogP of 3.56, 10 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-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 58245604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).