3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide

C17H28N2O3S — CID 113141932

IUPAC3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-12-18(13-6-2)17(20)11-14-19(23(4,21)22)16-9-7-15(3)8-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyOKRCBCOPJLPAPU-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.80
Rot. Bonds9

About 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide

3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide (PubChem CID 113141932) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
PubChem CID113141932
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-12-18(13-6-2)17(20)11-14-19(23(4,21)22)16-9-7-15(3)8-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyOKRCBCOPJLPAPU-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145294
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113144970
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide (CID 113141932) is 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The InChIKey is OKRCBCOPJLPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-12-18(13-6-2)17(20)11-14-19(23(4,21)22)16-9-7-15(3)8-10-16/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide?
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113141932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).