2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C28H34N2O4S — CID 3322210

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C28H34N2O4S/c1-23-17-18-26(34-23)21-29(20-19-24-11-5-2-6-12-24)28(31)22-30(25-13-7-3-8-14-25)35(32,33)27-15-9-4-10-16-27/h2,4-6,9-12,15-18,25H,3,7-8,13-14,19-22H2,1H3
InChIKeyXQFGBGUURPYFAO-UHFFFAOYSA-N
MW494.66 g/mol
LogP5.18
Rot. Bonds10

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 3322210) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID3322210
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C28H34N2O4S/c1-23-17-18-26(34-23)21-29(20-19-24-11-5-2-6-12-24)28(31)22-30(25-13-7-3-8-14-25)35(32,33)27-15-9-4-10-16-27/h2,4-6,9-12,15-18,25H,3,7-8,13-14,19-22H2,1H3
InChIKeyXQFGBGUURPYFAO-UHFFFAOYSA-N
XLogP5.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide 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

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5133110
N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 93114798
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4675633
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 92915087
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 4233999
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
2-[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3961353
cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128931

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 3322210) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is XQFGBGUURPYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-23-17-18-26(34-23)21-29(20-19-24-11-5-2-6-12-24)28(31)22-30(25-13-7-3-8-14-25)35(32,33)27-15-9-4-10-16-27/h2,4-6,9-12,15-18,25H,3,7-8,13-14,19-22H2,1H3.
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 494.66 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3322210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).