(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide

C18H19N5O4S — CID 71574570

IUPAC(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(-c3cc(N)ncn3)cc2c1
InChIInChI=1S/C18H19N5O4S/c1-10(24)17(20)18(25)23-28(26,27)14-5-4-11-2-3-12(6-13(11)7-14)15-8-16(19)22-9-21-15/h2-10,17,24H,20H2,1H3,(H,23,25)(H2,19,21,22)/t10-,17+/m1/s1
InChIKeySKSGONRDNZKNBF-QGHHPUGFSA-N
MW401.45 g/mol
LogP0.39
Rot. Bonds5

About (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide

(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide (PubChem CID 71574570) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide
PubChem CID71574570
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(-c3cc(N)ncn3)cc2c1
InChIInChI=1S/C18H19N5O4S/c1-10(24)17(20)18(25)23-28(26,27)14-5-4-11-2-3-12(6-13(11)7-14)15-8-16(19)22-9-21-15/h2-10,17,24H,20H2,1H3,(H,23,25)(H2,19,21,22)/t10-,17+/m1/s1
InChIKeySKSGONRDNZKNBF-QGHHPUGFSA-N
XLogP0.39
TPSA161.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide (CID 71574570) is (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide is C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccc(-c3cc(N)ncn3)cc2c1.
What is the InChIKey of (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide?
The InChIKey is SKSGONRDNZKNBF-QGHHPUGFSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-10(24)17(20)18(25)23-28(26,27)14-5-4-11-2-3-12(6-13(11)7-14)15-8-16(19)22-9-21-15/h2-10,17,24H,20H2,1H3,(H,23,25)(H2,19,21,22)/t10-,17+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide?
(2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide has a molecular weight of 401.45 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-[7-(6-aminopyrimidin-4-yl)naphthalen-2-yl]sulfonyl-3-hydroxybutanamide is sourced from PubChem (CID 71574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).