N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C19H18N4O4S2 — CID 158190831

IUPACN-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)s3)cnc2N)cc1
InChIInChI=1S/C19H18N4O4S2/c1-11-3-8-17(28-11)15-10-21-19(20)18(22-15)16(25)9-13-4-6-14(7-5-13)29(26,27)23-12(2)24/h3-8,10H,9H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyIREVDQRMJFLEDJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.35
Rot. Bonds6

About N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 158190831) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID158190831
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)s3)cnc2N)cc1
InChIInChI=1S/C19H18N4O4S2/c1-11-3-8-17(28-11)15-10-21-19(20)18(22-15)16(25)9-13-4-6-14(7-5-13)29(26,27)23-12(2)24/h3-8,10H,9H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyIREVDQRMJFLEDJ-UHFFFAOYSA-N
XLogP2.35
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

VE-821
CID 51000408
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-Amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-2-pyrazinecarboxamide
CID 52915004
3-amino-6-(4-(methylsulfinyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937555
3-amino-N-(diaminomethylene)-5-(3-(thiophen-3-yl)phenyl)pyrazine-2-carboxamide
CID 44575053
3-amino-6-(4-(ethylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937556
3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937557
3-amino-N-phenyl-6-(4-(propylsulfonyl)phenyl)pyrazine-2-carboxamide
CID 52937558
3-amino-6-(4-(sec-butylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937559
3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937659

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 158190831) is N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)s3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is IREVDQRMJFLEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-11-3-8-17(28-11)15-10-21-19(20)18(22-15)16(25)9-13-4-6-14(7-5-13)29(26,27)23-12(2)24/h3-8,10H,9H2,1-2H3,(H2,20,21)(H,23,24).
What are the key properties of N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 430.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(5-methylthiophen-2-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 158190831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).