N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide

C17H28N2O3S — CID 113135924

IUPACN-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-12-18(23(4,21)22)13-11-17(20)19(15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3
InChIKeyBTRYVSASPGGHPB-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.49
Rot. Bonds9

About N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide

N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113135924) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
PubChem CID113135924
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
SMILESCCCN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-12-18(23(4,21)22)13-11-17(20)19(15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3
InChIKeyBTRYVSASPGGHPB-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136884
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113146866
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide (CID 113135924) is N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide is CCCN(CCC(=O)N(Cc1ccccc1)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is BTRYVSASPGGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-12-18(23(4,21)22)13-11-17(20)19(15(2)3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3.
What are the key properties of N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide?
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 340.49 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 N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113135924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).