2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C30H37ClN2O6S — CID 5133110

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C30H37ClN2O6S/c1-22-9-13-26(39-22)20-32(18-17-23-10-16-28(37-2)29(19-23)38-3)30(34)21-33(25-7-5-4-6-8-25)40(35,36)27-14-11-24(31)12-15-27/h9-16,19,25H,4-8,17-18,20-21H2,1-3H3
InChIKeyDYAAPTSBVCBUOS-UHFFFAOYSA-N
MW589.15 g/mol
LogP5.85
Rot. Bonds12

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 5133110) has the molecular formula C30H37ClN2O6S and a molecular weight of 589.15 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID5133110
Molecular FormulaC30H37ClN2O6S
Molecular Weight589.15 g/mol
Exact Mass588.21
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C30H37ClN2O6S/c1-22-9-13-26(39-22)20-32(18-17-23-10-16-28(37-2)29(19-23)38-3)30(34)21-33(25-7-5-4-6-8-25)40(35,36)27-14-11-24(31)12-15-27/h9-16,19,25H,4-8,17-18,20-21H2,1-3H3
InChIKeyDYAAPTSBVCBUOS-UHFFFAOYSA-N
XLogP5.85
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.15
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]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

4-chloro-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4031301
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3322210
4-chloro-N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3630821
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3671558
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98236161
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 3924206
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 3938654
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5024195
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4216866
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 5206229
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 3436202
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 3416049

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 5133110) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is DYAAPTSBVCBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN2O6S/c1-22-9-13-26(39-22)20-32(18-17-23-10-16-28(37-2)29(19-23)38-3)30(34)21-33(25-7-5-4-6-8-25)40(35,36)27-14-11-24(31)12-15-27/h9-16,19,25H,4-8,17-18,20-21H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 589.15 g/mol, XLogP of 5.85, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 5133110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).