3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide

C20H27N3O3S — CID 113145737

IUPAC3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(c2ccc(N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)21-20(24)12-13-23(27(5,25)26)18-10-8-17(9-11-18)22(3)4/h6-11,14H,12-13H2,1-5H3,(H,21,24)
InChIKeyTWRXUGRYYYTVQK-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.16
Rot. Bonds7

About 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide

3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113145737) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID113145737
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(c2ccc(N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)21-20(24)12-13-23(27(5,25)26)18-10-8-17(9-11-18)22(3)4/h6-11,14H,12-13H2,1-5H3,(H,21,24)
InChIKeyTWRXUGRYYYTVQK-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.16
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

3-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113146149
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30258311
methyl 4-methyl-3-[4-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 9180012
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide (CID 113145737) is 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN(c2ccc(N(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is TWRXUGRYYYTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-6-7-16(2)19(14-15)21-20(24)12-13-23(27(5,25)26)18-10-8-17(9-11-18)22(3)4/h6-11,14H,12-13H2,1-5H3,(H,21,24).
What are the key properties of 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide?
3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 389.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113145737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).