N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide

C16H27N3O3S — CID 113142352

IUPACN-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)cc(N(CCC(=O)NCCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C16H27N3O3S/c1-13-10-14(2)12-15(11-13)19(23(5,21)22)8-6-16(20)17-7-9-18(3)4/h10-12H,6-9H2,1-5H3,(H,17,20)
InChIKeyIYQRYXQYGDGSAG-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.14
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142352) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142352
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)cc(N(CCC(=O)NCCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C16H27N3O3S/c1-13-10-14(2)12-15(11-13)19(23(5,21)22)8-6-16(20)17-7-9-18(3)4/h10-12H,6-9H2,1-5H3,(H,17,20)
InChIKeyIYQRYXQYGDGSAG-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113142378
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 53288183
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
N-[[4-(dimethylamino)phenyl]methyl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 53288361
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142352) is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)cc(N(CCC(=O)NCCN(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is IYQRYXQYGDGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13-10-14(2)12-15(11-13)19(23(5,21)22)8-6-16(20)17-7-9-18(3)4/h10-12H,6-9H2,1-5H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide?
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 341.48 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).