N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide

C12H26N2O4S — CID 113137690

IUPACN-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(CCOC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O4S/c1-5-6-8-13(2)12(15)7-9-14(10-11-18-3)19(4,16)17/h5-11H2,1-4H3
InChIKeyAFQZADOZEMCQBG-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.54
Rot. Bonds10

About N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide

N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide (PubChem CID 113137690) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide
PubChem CID113137690
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(CCOC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O4S/c1-5-6-8-13(2)12(15)7-9-14(10-11-18-3)19(4,16)17/h5-11H2,1-4H3
InChIKeyAFQZADOZEMCQBG-UHFFFAOYSA-N
XLogP0.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(methylsulfonyl)amino]-N,N-dimethyl-2-propan-2-yloxypropanamide
CID 88991582
N-methyl-N-(3-oxo-2-propan-2-yloxy-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 89901695
3-(methanesulfonamido)-N-(2-methoxyethyl)propanamide
CID 47175119
N-{3-[(3S)-3-Ethylmorpholin-4-YL]-3-oxopropyl}-N-methylmethanesulfonamide
CID 70724792
N-[3-(3-ethylmorpholin-4-yl)-3-oxopropyl]-N-methylmethanesulfonamide
CID 77902811
N,N-bis(2-methoxyethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513004
N-(2-methoxyethyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135860
N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide
CID 113135862
N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135927
N-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylmethanesulfonamide
CID 113136058
3-[butyl(methylsulfonyl)amino]-N-(2-methoxyethyl)propanamide
CID 113136648
N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113136649

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide?
The IUPAC name of N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide (CID 113137690) is N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide?
The canonical SMILES for N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide is CCCCN(C)C(=O)CCN(CCOC)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide?
The InChIKey is AFQZADOZEMCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-6-8-13(2)12(15)7-9-14(10-11-18-3)19(4,16)17/h5-11H2,1-4H3.
What are the key properties of N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide?
N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 0.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide is sourced from PubChem (CID 113137690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).