N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide

C19H24N2O4S — CID 113141472

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(CCNC(=O)CCN(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-20-19(22)12-14-21(26(2,23)24)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22)
InChIKeyLWSSLUZYKUPOKA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide

N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide (PubChem CID 113141472) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
PubChem CID113141472
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(CCNC(=O)CCN(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-20-19(22)12-14-21(26(2,23)24)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22)
InChIKeyLWSSLUZYKUPOKA-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147341
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide (CID 113141472) is N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide is COc1cccc(CCNC(=O)CCN(c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide?
The InChIKey is LWSSLUZYKUPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-10-6-7-16(15-18)11-13-20-19(22)12-14-21(26(2,23)24)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).