4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide

C20H26N2O4S — CID 113069361

IUPAC4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)18-7-5-6-8-19(18)22(27(4,24)25)14-13-21-20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyIUUYNUHHFSDUCW-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.01
Rot. Bonds8

About 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide

4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide (PubChem CID 113069361) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
PubChem CID113069361
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)18-7-5-6-8-19(18)22(27(4,24)25)14-13-21-20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyIUUYNUHHFSDUCW-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066639
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
(2R)-2-[(4-methoxyphenyl)methyl-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]-N-propylbutanamide
CID 100623248
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]butanamide
CID 132680534
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide (CID 113069361) is 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide is COc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is IUUYNUHHFSDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)18-7-5-6-8-19(18)22(27(4,24)25)14-13-21-20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 113069361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).