N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

C18H31N3O3S — CID 113143138

IUPACN-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H31N3O3S/c1-14-12-15(2)18(16(3)13-14)21(25(6,23)24)11-8-17(22)19-9-7-10-20(4)5/h12-13H,7-11H2,1-6H3,(H,19,22)
InChIKeyYSHXNXKGEQWDBU-UHFFFAOYSA-N
MW369.53 g/mol
LogP1.84
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143138) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143138
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H31N3O3S/c1-14-12-15(2)18(16(3)13-14)21(25(6,23)24)11-8-17(22)19-9-7-10-20(4)5/h12-13H,7-11H2,1-6H3,(H,19,22)
InChIKeyYSHXNXKGEQWDBU-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
CID 110408260
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143138) is N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)c(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is YSHXNXKGEQWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-14-12-15(2)18(16(3)13-14)21(25(6,23)24)11-8-17(22)19-9-7-10-20(4)5/h12-13H,7-11H2,1-6H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 369.53 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).