N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

C23H25N3O4S2 — CID 15991705

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3cccs3)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)22(18-6-3-2-4-7-18)24-32(28,29)21-8-5-17-31-21/h2-12,17,22,24H,13-16H2,1H3
InChIKeyXWTBCDQUZRLHAU-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 15991705) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID15991705
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3cccs3)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)22(18-6-3-2-4-7-18)24-32(28,29)21-8-5-17-31-21/h2-12,17,22,24H,13-16H2,1H3
InChIKeyXWTBCDQUZRLHAU-UHFFFAOYSA-N
XLogP3.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 4108774
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 71689976
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
N-[(1R,2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
CID 7086699
N-[(1S,2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
CID 7086695
3,4-dimethoxy-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862831

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (CID 15991705) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is COc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3cccs3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is XWTBCDQUZRLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-30-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)22(18-6-3-2-4-7-18)24-32(28,29)21-8-5-17-31-21/h2-12,17,22,24H,13-16H2,1H3.
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 471.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15991705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).