(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide

C15H17Cl2N5O4S2 — CID 58656096

IUPAC(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CSc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1
InChIInChI=1S/C15H17Cl2N5O4S2/c1-19-14(23)9(18)7-27-11-6-20-13(15(21-11)26-2)22-28(24,25)10-5-3-4-8(16)12(10)17/h3-6,9H,7,18H2,1-2H3,(H,19,23)(H,20,22)/t9-/m0/s1
InChIKeyKPCNHQNPGWTFMX-VIFPVBQESA-N
MW466.37 g/mol
LogP1.76
Rot. Bonds8

About (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide

(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide (PubChem CID 58656096) has the molecular formula C15H17Cl2N5O4S2 and a molecular weight of 466.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide
PubChem CID58656096
Molecular FormulaC15H17Cl2N5O4S2
Molecular Weight466.37 g/mol
Exact Mass465.01
IUPAC Name(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CSc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1
InChIInChI=1S/C15H17Cl2N5O4S2/c1-19-14(23)9(18)7-27-11-6-20-13(15(21-11)26-2)22-28(24,25)10-5-3-4-8(16)12(10)17/h3-6,9H,7,18H2,1-2H3,(H,19,23)(H,20,22)/t9-/m0/s1
InChIKeyKPCNHQNPGWTFMX-VIFPVBQESA-N
XLogP1.76
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
CID 59168102
N-[5-[2-amino-2-(1-methylimidazol-2-yl)ethyl]sulfanyl-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 11785105
methyl (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-3-methylpyrazin-2-yl]sulfanylpropanoate
CID 11431599
(2R)-2-amino-3-[3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylpropanoic acid
CID 11179284
N-[5-[2-azido-2-(1,3-oxazol-2-yl)ethyl]sulfanyl-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 58656103
N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10309586
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
N-[5-[4-(2-amino-2-hydroxyethyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 69396589
N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 69421245
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
CID 87284462
2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
CID 11222445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide (CID 58656096) is (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide is CNC(=O)[C@@H](N)CSc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1.
What is the InChIKey of (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide?
The InChIKey is KPCNHQNPGWTFMX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17Cl2N5O4S2/c1-19-14(23)9(18)7-27-11-6-20-13(15(21-11)26-2)22-28(24,25)10-5-3-4-8(16)12(10)17/h3-6,9H,7,18H2,1-2H3,(H,19,23)(H,20,22)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide?
(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide has a molecular weight of 466.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide is sourced from PubChem (CID 58656096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).