butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate

C24H32N4O4S — CID 18650910

IUPACbutan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate
SMILESCCC(C)OC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1
InChIInChI=1S/C24H32N4O4S/c1-6-17(4)32-24(29)22(13-16(2)3)27-33(30,31)20-9-7-19(8-10-20)15-28-18(5)26-21-11-12-25-14-23(21)28/h7-12,14,16-17,22,27H,6,13,15H2,1-5H3/t17?,22-/m0/s1
InChIKeyFLBGDAOGMUPDGV-UGNFMNBCSA-N
MW472.61 g/mol
LogP3.82
Rot. Bonds10

About butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate

butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate (PubChem CID 18650910) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate.

Molecular Properties

Compound Namebutan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate
PubChem CID18650910
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Namebutan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate
SMILESCCC(C)OC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1
InChIInChI=1S/C24H32N4O4S/c1-6-17(4)32-24(29)22(13-16(2)3)27-33(30,31)20-9-7-19(8-10-20)15-28-18(5)26-21-11-12-25-14-23(21)28/h7-12,14,16-17,22,27H,6,13,15H2,1-5H3/t17?,22-/m0/s1
InChIKeyFLBGDAOGMUPDGV-UGNFMNBCSA-N
XLogP3.82
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate?
The IUPAC name of butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate (CID 18650910) is butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate.
What is the SMILES notation for butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate?
The canonical SMILES for butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate is CCC(C)OC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1.
What is the InChIKey of butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate?
The InChIKey is FLBGDAOGMUPDGV-UGNFMNBCSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-6-17(4)32-24(29)22(13-16(2)3)27-33(30,31)20-9-7-19(8-10-20)15-28-18(5)26-21-11-12-25-14-23(21)28/h7-12,14,16-17,22,27H,6,13,15H2,1-5H3/t17?,22-/m0/s1.
What are the key properties of butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate?
butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate has a molecular weight of 472.61 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]sulfonylamino]pentanoate is sourced from PubChem (CID 18650910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).