N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

C27H32N4O3S2 — CID 24825360

IUPACN-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3csc(C)n3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32N4O3S2/c1-4-5-6-7-20-8-14-23(15-9-20)36(32,33)28-17-16-24-26(21-10-12-22(34-3)13-11-21)31-27(30-24)25-18-35-19(2)29-25/h8-15,18,28H,4-7,16-17H2,1-3H3,(H,30,31)
InChIKeyJWRJDNKQWPRGDJ-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.77
Rot. Bonds12

About N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825360) has the molecular formula C27H32N4O3S2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825360
Molecular FormulaC27H32N4O3S2
Molecular Weight524.71 g/mol
Exact Mass524.19
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3csc(C)n3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32N4O3S2/c1-4-5-6-7-20-8-14-23(15-9-20)36(32,33)28-17-16-24-26(21-10-12-22(34-3)13-11-21)31-27(30-24)25-18-35-19(2)29-25/h8-15,18,28H,4-7,16-17H2,1-3H3,(H,30,31)
InChIKeyJWRJDNKQWPRGDJ-UHFFFAOYSA-N
XLogP5.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.77
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825360) is N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3csc(C)n3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is JWRJDNKQWPRGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S2/c1-4-5-6-7-20-8-14-23(15-9-20)36(32,33)28-17-16-24-26(21-10-12-22(34-3)13-11-21)31-27(30-24)25-18-35-19(2)29-25/h8-15,18,28H,4-7,16-17H2,1-3H3,(H,30,31).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 524.71 g/mol, XLogP of 5.77, 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-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).