(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide

C19H22FN3O3S — CID 89136697

IUPAC(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
SMILESC=C(F)C[C@H](C(=O)NC)N(Cc1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-6-8-17(9-7-14)27(25,26)23(13-16-5-4-10-22-12-16)18(11-15(2)20)19(24)21-3/h4-10,12,18H,2,11,13H2,1,3H3,(H,21,24)/t18-/m1/s1
InChIKeyBLULVDCCVVVXCL-GOSISDBHSA-N
MW391.47 g/mol
LogP2.57
Rot. Bonds8

About (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide

(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide (PubChem CID 89136697) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide.

Molecular Properties

Compound Name(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
PubChem CID89136697
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
SMILESC=C(F)C[C@H](C(=O)NC)N(Cc1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-6-8-17(9-7-14)27(25,26)23(13-16-5-4-10-22-12-16)18(11-15(2)20)19(24)21-3/h4-10,12,18H,2,11,13H2,1,3H3,(H,21,24)/t18-/m1/s1
InChIKeyBLULVDCCVVVXCL-GOSISDBHSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-4-fluoro-1-(hydroxyamino)-1-oxopent-4-en-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 71465374
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465371
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170383532
(2R)-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanoic acid
CID 169003191
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
CID 170383838
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426

Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide?
The IUPAC name of (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide (CID 89136697) is (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide.
What is the SMILES notation for (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide?
The canonical SMILES for (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide is C=C(F)C[C@H](C(=O)NC)N(Cc1cccnc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide?
The InChIKey is BLULVDCCVVVXCL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-6-8-17(9-7-14)27(25,26)23(13-16-5-4-10-22-12-16)18(11-15(2)20)19(24)21-3/h4-10,12,18H,2,11,13H2,1,3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide?
(2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide has a molecular weight of 391.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-N-methyl-2-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide is sourced from PubChem (CID 89136697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).