3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

C14H22N2O4S — CID 113064974

IUPAC3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(21(4,18)19)9-8-15-14(17)12-6-5-7-13(10-12)20-3/h5-7,10-11H,8-9H2,1-4H3,(H,15,17)
InChIKeySQIOQFQAMAHAJX-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.10
Rot. Bonds7

About 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 113064974) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID113064974
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(21(4,18)19)9-8-15-14(17)12-6-5-7-13(10-12)20-3/h5-7,10-11H,8-9H2,1-4H3,(H,15,17)
InChIKeySQIOQFQAMAHAJX-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
2-[carboxy-[2-[(3-methoxybenzoyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 22143921
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (CID 113064974) is 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is COc1cccc(C(=O)NCCN(C(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is SQIOQFQAMAHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)16(21(4,18)19)9-8-15-14(17)12-6-5-7-13(10-12)20-3/h5-7,10-11H,8-9H2,1-4H3,(H,15,17).
What are the key properties of 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 113064974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).