3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

C23H27N5O3S — CID 130229415

IUPAC3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H27N5O3S/c1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyRHYVRLPPFUOICT-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.09
Rot. Bonds9

About 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 130229415) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID130229415
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H27N5O3S/c1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyRHYVRLPPFUOICT-UHFFFAOYSA-N
XLogP3.09
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 130229415) is 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is CCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is RHYVRLPPFUOICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29).
What are the key properties of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 130229415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).