N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide

C13H19N3O5S — CID 100815509

IUPACN-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C13H19N3O5S/c1-14-12(17)7-8-16-22(19,20)11-5-3-10(4-6-11)21-9-13(18)15-2/h3-6,16H,7-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKAIDZXHXJCUYOQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.77
Rot. Bonds8

About N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide

N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide (PubChem CID 100815509) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
PubChem CID100815509
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC NameN-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C13H19N3O5S/c1-14-12(17)7-8-16-22(19,20)11-5-3-10(4-6-11)21-9-13(18)15-2/h3-6,16H,7-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKAIDZXHXJCUYOQ-UHFFFAOYSA-N
XLogP-0.77
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
CID 100814368
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide?
The IUPAC name of N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide (CID 100815509) is N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide is CNC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1.
What is the InChIKey of N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide?
The InChIKey is KAIDZXHXJCUYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-14-12(17)7-8-16-22(19,20)11-5-3-10(4-6-11)21-9-13(18)15-2/h3-6,16H,7-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide?
N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide has a molecular weight of 329.38 g/mol, XLogP of -0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 100815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).