N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C14H22N2O4S — CID 113055933

IUPACN-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCN(CCNS(C)(=O)=O)C(C)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-12(17)16(10-8-15-21(3,18)19)9-7-13-5-4-6-14(11-13)20-2/h4-6,11,15H,7-10H2,1-3H3
InChIKeyMFUVABHNXHXSAY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.64
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113055933) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113055933
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCN(CCNS(C)(=O)=O)C(C)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-12(17)16(10-8-15-21(3,18)19)9-7-13-5-4-6-14(11-13)20-2/h4-6,11,15H,7-10H2,1-3H3
InChIKeyMFUVABHNXHXSAY-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113056230

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113055933) is N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCN(CCNS(C)(=O)=O)C(C)=O)c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is MFUVABHNXHXSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12(17)16(10-8-15-21(3,18)19)9-7-13-5-4-6-14(11-13)20-2/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113055933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).