N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide

C23H17ClN4O5S2 — CID 69439512

IUPACN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide
SMILESO=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C23H17ClN4O5S2/c24-18-10-11-20(34-18)35(32,33)27-23(31)21(15-4-2-1-3-5-15)26-22(30)16-6-8-17(9-7-16)28-13-12-25-14-19(28)29/h1-14,21H,(H,26,30)(H,27,31)
InChIKeyBNYKGBDNMXGXBF-UHFFFAOYSA-N
MW529.00 g/mol
LogP2.92
Rot. Bonds7

About N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide

N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide (PubChem CID 69439512) has the molecular formula C23H17ClN4O5S2 and a molecular weight of 529.00 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide
PubChem CID69439512
Molecular FormulaC23H17ClN4O5S2
Molecular Weight529.00 g/mol
Exact Mass528.03
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide
SMILESO=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1)c1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C23H17ClN4O5S2/c24-18-10-11-20(34-18)35(32,33)27-23(31)21(15-4-2-1-3-5-15)26-22(30)16-6-8-17(9-7-16)28-13-12-25-14-19(28)29/h1-14,21H,(H,26,30)(H,27,31)
InChIKeyBNYKGBDNMXGXBF-UHFFFAOYSA-N
XLogP2.92
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.00
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide (CID 69439512) is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide is O=C(NC(C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1)c1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide?
The InChIKey is BNYKGBDNMXGXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O5S2/c24-18-10-11-20(34-18)35(32,33)27-23(31)21(15-4-2-1-3-5-15)26-22(30)16-6-8-17(9-7-16)28-13-12-25-14-19(28)29/h1-14,21H,(H,26,30)(H,27,31).
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide?
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide has a molecular weight of 529.00 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxopyrazin-1-yl)benzamide is sourced from PubChem (CID 69439512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).