N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

C14H23N3O4S — CID 113054972

IUPACN-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCNS(=O)(=O)N(C)C)C(C)=O
InChIInChI=1S/C14H23N3O4S/c1-12(18)17(10-9-15-22(19,20)16(2)3)11-13-7-5-6-8-14(13)21-4/h5-8,15H,9-11H2,1-4H3
InChIKeyJKEQLWSBEZCMMH-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.44
Rot. Bonds8

About N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 113054972) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID113054972
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCNS(=O)(=O)N(C)C)C(C)=O
InChIInChI=1S/C14H23N3O4S/c1-12(18)17(10-9-15-22(19,20)16(2)3)11-13-7-5-6-8-14(13)21-4/h5-8,15H,9-11H2,1-4H3
InChIKeyJKEQLWSBEZCMMH-UHFFFAOYSA-N
XLogP0.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053211
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 113054972) is N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(CCNS(=O)(=O)N(C)C)C(C)=O.
What is the InChIKey of N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JKEQLWSBEZCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-12(18)17(10-9-15-22(19,20)16(2)3)11-13-7-5-6-8-14(13)21-4/h5-8,15H,9-11H2,1-4H3.
What are the key properties of N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113054972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).