2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C27H37N3O4S — CID 55519542

IUPAC2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)N2CCOCC2)o1
InChIInChI=1S/C27H37N3O4S/c1-20-12-13-24(34-20)23(30-14-16-33-17-15-30)18-28-27(32)22-10-6-7-11-25(22)35-19-26(31)29(2)21-8-4-3-5-9-21/h6-7,10-13,21,23H,3-5,8-9,14-19H2,1-2H3,(H,28,32)
InChIKeyHJQYXXUFOTVPRU-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.27
Rot. Bonds9

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55519542) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55519542
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)N2CCOCC2)o1
InChIInChI=1S/C27H37N3O4S/c1-20-12-13-24(34-20)23(30-14-16-33-17-15-30)18-28-27(32)22-10-6-7-11-25(22)35-19-26(31)29(2)21-8-4-3-5-9-21/h6-7,10-13,21,23H,3-5,8-9,14-19H2,1-2H3,(H,28,32)
InChIKeyHJQYXXUFOTVPRU-UHFFFAOYSA-N
XLogP4.27
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide 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-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112765032
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55519541
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55759392
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
CID 55334635
3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 55713227
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 31737743
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 55519542) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)N2CCOCC2)o1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is HJQYXXUFOTVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-20-12-13-24(34-20)23(30-14-16-33-17-15-30)18-28-27(32)22-10-6-7-11-25(22)35-19-26(31)29(2)21-8-4-3-5-9-21/h6-7,10-13,21,23H,3-5,8-9,14-19H2,1-2H3,(H,28,32).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 499.68 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55519542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).