N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C23H25N3O4S2 — CID 17398452

IUPACN-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H25N3O4S2/c1-30-21-11-6-5-10-20(21)26(32(28,29)23-12-7-17-31-23)18-22(27)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-12,17H,13-16,18H2,1H3
InChIKeyPVBGJGLCWWNGAV-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.30
Rot. Bonds7

About N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 17398452) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID17398452
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H25N3O4S2/c1-30-21-11-6-5-10-20(21)26(32(28,29)23-12-7-17-31-23)18-22(27)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-12,17H,13-16,18H2,1H3
InChIKeyPVBGJGLCWWNGAV-UHFFFAOYSA-N
XLogP3.30
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393
N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1148586
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 3890580
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 43900928
N-(2-methoxy-5-nitrophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 2231975
N-(2-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21213825
N-(2-ethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 4115834
2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2981959
N-(2-ethoxyphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2974007
N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2896526
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1091470

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 17398452) is N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is COc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PVBGJGLCWWNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-30-21-11-6-5-10-20(21)26(32(28,29)23-12-7-17-31-23)18-22(27)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h2-12,17H,13-16,18H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 471.60 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 17398452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).