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

C16H26N2O3S — CID 113141498

IUPAC3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-4-12-17(13-5-2)16(19)11-14-18(22(3,20)21)15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKeyOTTVNGPMVFYJOA-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.49
Rot. Bonds9

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

3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide (PubChem CID 113141498) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
PubChem CID113141498
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-4-12-17(13-5-2)16(19)11-14-18(22(3,20)21)15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKeyOTTVNGPMVFYJOA-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145294
3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931
2-(N-methylsulfonylanilino)acetate
CID 2063945
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850
N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113147230
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113144970
N-ethyl-3-(3-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144633
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide (CID 113141498) is 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide?
The InChIKey is OTTVNGPMVFYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-12-17(13-5-2)16(19)11-14-18(22(3,20)21)15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3.
What are the key properties of 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide?
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide has a molecular weight of 326.46 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113141498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).