4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

C23H27N3O3S — CID 18575399

IUPAC4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCSc2ncc(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-4-14-29-20-11-7-18(8-12-20)22(27)24-13-15-30-23-25-16-21(26-23)17-5-9-19(28-2)10-6-17/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMUIBDXMZTTWWOJ-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.79
Rot. Bonds11

About 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (PubChem CID 18575399) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
PubChem CID18575399
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCSc2ncc(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-4-14-29-20-11-7-18(8-12-20)22(27)24-13-15-30-23-25-16-21(26-23)17-5-9-19(28-2)10-6-17/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMUIBDXMZTTWWOJ-UHFFFAOYSA-N
XLogP4.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4054289
N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-(3-methylphenyl)acetamide
CID 18575414
3,4-diethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575446
3,4,5-triethoxy-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575448
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
N-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-4-butylbenzamide
CID 42725781
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-nonylbenzamide
CID 3557385
N-butyl-4-propoxybenzamide
CID 17142951

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (CID 18575399) is 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCSc2ncc(-c3ccc(OC)cc3)[nH]2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The InChIKey is MUIBDXMZTTWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-4-14-29-20-11-7-18(8-12-20)22(27)24-13-15-30-23-25-16-21(26-23)17-5-9-19(28-2)10-6-17/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is sourced from PubChem (CID 18575399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).