N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide

C17H28N2O3S — CID 113140692

IUPACN-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCCC(C)NC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-4-15(2)18-17(20)12-14-19(23(3,21)22)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,18,20)
InChIKeyMEDZORNLRRZLIP-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.19
Rot. Bonds10

About N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide

N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (PubChem CID 113140692) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
PubChem CID113140692
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCCC(C)NC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-4-15(2)18-17(20)12-14-19(23(3,21)22)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,18,20)
InChIKeyMEDZORNLRRZLIP-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152008
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 125084285
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (CID 113140692) is N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is CCC(C)NC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The InChIKey is MEDZORNLRRZLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-15(2)18-17(20)12-14-19(23(3,21)22)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,8,11-14H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is sourced from PubChem (CID 113140692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).