N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide

C25H35N5O3S2 — CID 24825365

IUPACN-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide
SMILESCCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H35N5O3S2/c1-3-4-5-14-29-15-17-30(18-16-29)35(31,32)26-13-12-22-24(20-8-10-21(33-2)11-9-20)28-25(27-22)23-7-6-19-34-23/h6-11,19,26H,3-5,12-18H2,1-2H3,(H,27,28)
InChIKeyXOMUQLAAMXZNKY-UHFFFAOYSA-N
MW517.72 g/mol
LogP4.00
Rot. Bonds12

About N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide

N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide (PubChem CID 24825365) has the molecular formula C25H35N5O3S2 and a molecular weight of 517.72 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide
PubChem CID24825365
Molecular FormulaC25H35N5O3S2
Molecular Weight517.72 g/mol
Exact Mass517.22
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide
SMILESCCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H35N5O3S2/c1-3-4-5-14-29-15-17-30(18-16-29)35(31,32)26-13-12-22-24(20-8-10-21(33-2)11-9-20)28-25(27-22)23-7-6-19-34-23/h6-11,19,26H,3-5,12-18H2,1-2H3,(H,27,28)
InChIKeyXOMUQLAAMXZNKY-UHFFFAOYSA-N
XLogP4.00
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11466350
2,4,5-Tri-substituted imidazole, 2
CID 24825343
N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
N-{3-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825361
N-{3-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825362
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 24825363
4-butyl-N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}piperazine-1-sulfonamide
CID 24825364
4-(2-chlorophenyl)-N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}piperazine-1-sulfonamide
CID 24825366
4-(3,4-dichlorophenyl)-N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}piperazine-1-sulfonamide
CID 24825367
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-phenylpiperazine-1-sulfonamide
CID 24825369
{[(3R)-1-benzylpyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825370

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide (CID 24825365) is N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide is CCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide?
The InChIKey is XOMUQLAAMXZNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S2/c1-3-4-5-14-29-15-17-30(18-16-29)35(31,32)26-13-12-22-24(20-8-10-21(33-2)11-9-20)28-25(27-22)23-7-6-19-34-23/h6-11,19,26H,3-5,12-18H2,1-2H3,(H,27,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide has a molecular weight of 517.72 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylpiperazine-1-sulfonamide is sourced from PubChem (CID 24825365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).