N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide

C21H16ClN3O3S — CID 34308891

IUPACN-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c22-13-5-3-6-14(11-13)23-19(26)12-17-20(27)24-15-7-1-2-8-16(15)25(17)21(28)18-9-4-10-29-18/h1-11,17H,12H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyCIPOXZJYVACLJV-QGZVFWFLSA-N
MW425.90 g/mol
LogP4.40
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide

N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34308891) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34308891
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c22-13-5-3-6-14(11-13)23-19(26)12-17-20(27)24-15-7-1-2-8-16(15)25(17)21(28)18-9-4-10-29-18/h1-11,17H,12H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyCIPOXZJYVACLJV-QGZVFWFLSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34308891) is N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is CIPOXZJYVACLJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-13-5-3-6-14(11-13)23-19(26)12-17-20(27)24-15-7-1-2-8-16(15)25(17)21(28)18-9-4-10-29-18/h1-11,17H,12H2,(H,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34308891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).