5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide

C30H31NO3S — CID 21046176

IUPAC5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Sc1ccc(C(=O)NCCc2ccccc2Oc2ccccc2)o1
InChIInChI=1S/C30H31NO3S/c1-21-14-15-23(30(2,3)4)20-27(21)35-28-17-16-26(34-28)29(32)31-19-18-22-10-8-9-13-25(22)33-24-11-6-5-7-12-24/h5-17,20H,18-19H2,1-4H3,(H,31,32)
InChIKeyAGABRNZXZRXSEH-UHFFFAOYSA-N
MW485.65 g/mol
LogP7.80
Rot. Bonds8

About 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide

5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 21046176) has the molecular formula C30H31NO3S and a molecular weight of 485.65 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID21046176
Molecular FormulaC30H31NO3S
Molecular Weight485.65 g/mol
Exact Mass485.20
IUPAC Name5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Sc1ccc(C(=O)NCCc2ccccc2Oc2ccccc2)o1
InChIInChI=1S/C30H31NO3S/c1-21-14-15-23(30(2,3)4)20-27(21)35-28-17-16-26(34-28)29(32)31-19-18-22-10-8-9-13-25(22)33-24-11-6-5-7-12-24/h5-17,20H,18-19H2,1-4H3,(H,31,32)
InChIKeyAGABRNZXZRXSEH-UHFFFAOYSA-N
XLogP7.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045885
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045748
5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide
CID 21047287
5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[(5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]furan-2-carboxamide
CID 58696921
3-[2-methyl-4-[2-[2-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]phenyl]propanoic acid
CID 58853567
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046209
N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046251
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
4-[2-(2-phenoxyphenyl)ethyl]benzoic acid
CID 22400838

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide (CID 21046176) is 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C(C)(C)C)cc1Sc1ccc(C(=O)NCCc2ccccc2Oc2ccccc2)o1.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is AGABRNZXZRXSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3S/c1-21-14-15-23(30(2,3)4)20-27(21)35-28-17-16-26(34-28)29(32)31-19-18-22-10-8-9-13-25(22)33-24-11-6-5-7-12-24/h5-17,20H,18-19H2,1-4H3,(H,31,32).
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide?
5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 7.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 21046176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).