(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide

C18H21ClF3N3O3S — CID 57385030

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C#N)CC(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12?,15-,17?/m1/s1
InChIKeyDQLVLNIXRNYZNK-YAJUMTOWSA-N
MW451.90 g/mol
LogP3.47
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 57385030) has the molecular formula C18H21ClF3N3O3S and a molecular weight of 451.90 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID57385030
Molecular FormulaC18H21ClF3N3O3S
Molecular Weight451.90 g/mol
Exact Mass451.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C#N)CC(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12?,15-,17?/m1/s1
InChIKeyDQLVLNIXRNYZNK-YAJUMTOWSA-N
XLogP3.47
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]-5,5,5-trifluoropentanamide
CID 57384790
(2S)-2-[(4-chlorophenyl)sulfonyl-[[1-[2-(4-cyanophenyl)-2-oxoethyl]piperidin-4-yl]methyl]amino]-4-methylpentanamide
CID 10218300
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 86765168
(2R)-2-[4-bromohexyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 67195389
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxopropyl)phenyl]methyl]amino]-4-methylpentanamide
CID 58245604
(2R)-2-[(4-chlorophenyl)sulfonyl-[[1-(cyclopentanecarbonyl)-2,3-dihydroindol-5-yl]methyl]amino]-5-methylhexanamide
CID 143206427
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-[[[3-(dimethylamino)-2-oxopropyl]amino]methyl]phenyl]methyl]amino]-4-methylpentanamide
CID 67197068
(2R)-2-[(4-acetamidophenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 10238477
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
4-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 3797985
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55675546
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide (CID 57385030) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide is CC1(C#N)CC(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is DQLVLNIXRNYZNK-YAJUMTOWSA-N. The full InChI is InChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12?,15-,17?/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 451.90 g/mol, XLogP of 3.47, 8 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-[(3-cyano-3-methylcyclobutyl)methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 57385030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).