N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C16H27N3O3S — CID 113136957

IUPACN-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-13(2)12-19(23(5,21)22)11-10-16(20)17-14-6-8-15(9-7-14)18(3)4/h6-9,13H,10-12H2,1-5H3,(H,17,20)
InChIKeyNAAIELMRADAGLZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.00
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136957) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136957
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-13(2)12-19(23(5,21)22)11-10-16(20)17-14-6-8-15(9-7-14)18(3)4/h6-9,13H,10-12H2,1-5H3,(H,17,20)
InChIKeyNAAIELMRADAGLZ-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136934
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113141213
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136957) is N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is NAAIELMRADAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13(2)12-19(23(5,21)22)11-10-16(20)17-14-6-8-15(9-7-14)18(3)4/h6-9,13H,10-12H2,1-5H3,(H,17,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 341.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).