N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

C14H22N2O4S — CID 113135977

IUPACN-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-4-10-16(21(3,18)19)11-9-14(17)15-12-5-7-13(20-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyURVRNCXMVXYKMA-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.70
Rot. Bonds8

About N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113135977) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113135977
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-4-10-16(21(3,18)19)11-9-14(17)15-12-5-7-13(20-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyURVRNCXMVXYKMA-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
3-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 113139457
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (CID 113135977) is N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is URVRNCXMVXYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-10-16(21(3,18)19)11-9-14(17)15-12-5-7-13(20-2)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113135977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).