N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide

C21H26N4O5S2 — CID 31417881

IUPACN-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H26N4O5S2/c1-30-18-7-6-16(32(28,29)23-15-4-5-15)13-17(18)22-14-20(26)24-8-10-25(11-9-24)21(27)19-3-2-12-31-19/h2-3,6-7,12-13,15,22-23H,4-5,8-11,14H2,1H3
InChIKeyWAKVNOLZCMDFOZ-UHFFFAOYSA-N
MW478.60 g/mol
LogP1.59
Rot. Bonds8

About N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide

N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide (PubChem CID 31417881) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
PubChem CID31417881
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC NameN-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H26N4O5S2/c1-30-18-7-6-16(32(28,29)23-15-4-5-15)13-17(18)22-14-20(26)24-8-10-25(11-9-24)21(27)19-3-2-12-31-19/h2-3,6-7,12-13,15,22-23H,4-5,8-11,14H2,1H3
InChIKeyWAKVNOLZCMDFOZ-UHFFFAOYSA-N
XLogP1.59
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide with MolForge

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 39964978
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 7579593
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide (CID 31417881) is N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide?
The InChIKey is WAKVNOLZCMDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-30-18-7-6-16(32(28,29)23-15-4-5-15)13-17(18)22-14-20(26)24-8-10-25(11-9-24)21(27)19-3-2-12-31-19/h2-3,6-7,12-13,15,22-23H,4-5,8-11,14H2,1H3.
What are the key properties of N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide?
N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide has a molecular weight of 478.60 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide is sourced from PubChem (CID 31417881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).