N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide

C20H18N4O2S2 — CID 2309799

IUPACN-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESC[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H18N4O2S2/c1-14(15-8-3-2-4-9-15)21-19-20(23-17-11-6-5-10-16(17)22-19)24-28(25,26)18-12-7-13-27-18/h2-14H,1H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyMGDNWBHLYUSOKL-CQSZACIVSA-N
MW410.52 g/mol
LogP4.67
Rot. Bonds6

About N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2309799) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2309799
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESC[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H18N4O2S2/c1-14(15-8-3-2-4-9-15)21-19-20(23-17-11-6-5-10-16(17)22-19)24-28(25,26)18-12-7-13-27-18/h2-14H,1H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyMGDNWBHLYUSOKL-CQSZACIVSA-N
XLogP4.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310739
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
CID 769134
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2309799) is N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide is C[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is MGDNWBHLYUSOKL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-14(15-8-3-2-4-9-15)21-19-20(23-17-11-6-5-10-16(17)22-19)24-28(25,26)18-12-7-13-27-18/h2-14H,1H3,(H,21,22)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).