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

C24H33N5O3S2 — CID 24825364

IUPAC4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H33N5O3S2/c1-3-4-13-28-14-16-29(17-15-28)34(30,31)25-12-11-21-23(19-7-9-20(32-2)10-8-19)27-24(26-21)22-6-5-18-33-22/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,26,27)
InChIKeyLFSMDCYQBOCYQC-UHFFFAOYSA-N
MW503.69 g/mol
LogP3.61
Rot. Bonds11

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

4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825364) has the molecular formula C24H33N5O3S2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
PubChem CID24825364
Molecular FormulaC24H33N5O3S2
Molecular Weight503.69 g/mol
Exact Mass503.20
IUPAC Name4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H33N5O3S2/c1-3-4-13-28-14-16-29(17-15-28)34(30,31)25-12-11-21-23(19-7-9-20(32-2)10-8-19)27-24(26-21)22-6-5-18-33-22/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,26,27)
InChIKeyLFSMDCYQBOCYQC-UHFFFAOYSA-N
XLogP3.61
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.69
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825364) is 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is CCCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The InChIKey is LFSMDCYQBOCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S2/c1-3-4-13-28-14-16-29(17-15-28)34(30,31)25-12-11-21-23(19-7-9-20(32-2)10-8-19)27-24(26-21)22-6-5-18-33-22/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,26,27).
What are the key properties of 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 503.69 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).