N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C24H27ClN2O3 — CID 34949347

IUPACN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)oc2c1C
InChIInChI=1S/C24H27ClN2O3/c1-15-4-9-20-17(3)23(30-22(20)16(15)2)24(28)26-14-21(27-10-12-29-13-11-27)18-5-7-19(25)8-6-18/h4-9,21H,10-14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeySMYISDDXIXGNTE-OAQYLSRUSA-N
MW426.94 g/mol
LogP4.81
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 34949347) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID34949347
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)oc2c1C
InChIInChI=1S/C24H27ClN2O3/c1-15-4-9-20-17(3)23(30-22(20)16(15)2)24(28)26-14-21(27-10-12-29-13-11-27)18-5-7-19(25)8-6-18/h4-9,21H,10-14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeySMYISDDXIXGNTE-OAQYLSRUSA-N
XLogP4.81
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-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

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 35540857
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138993157
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573121
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573124
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 24790141
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
CID 60597091
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988461

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 34949347) is N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)oc2c1C.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is SMYISDDXIXGNTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-15-4-9-20-17(3)23(30-22(20)16(15)2)24(28)26-14-21(27-10-12-29-13-11-27)18-5-7-19(25)8-6-18/h4-9,21H,10-14H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 426.94 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 34949347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).