N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide

C14H21N3O5S — CID 47043097

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O5S/c1-17(2)14(19)10-22-12-6-4-11(5-7-12)16-13(18)8-9-15-23(3,20)21/h4-7,15H,8-10H2,1-3H3,(H,16,18)
InChIKeyBYTVZGJVEGJGAP-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.03
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide (PubChem CID 47043097) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
PubChem CID47043097
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O5S/c1-17(2)14(19)10-22-12-6-4-11(5-7-12)16-13(18)8-9-15-23(3,20)21/h4-7,15H,8-10H2,1-3H3,(H,16,18)
InChIKeyBYTVZGJVEGJGAP-UHFFFAOYSA-N
XLogP0.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100659254
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
CID 30860081
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 60616164
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
N'-(2-cyanoethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-N'-phenylbutanediamide
CID 56514981
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide (CID 47043097) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide is CN(C)C(=O)COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide?
The InChIKey is BYTVZGJVEGJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-17(2)14(19)10-22-12-6-4-11(5-7-12)16-13(18)8-9-15-23(3,20)21/h4-7,15H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide has a molecular weight of 343.41 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 47043097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).