N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide

C15H24N2O3S — CID 113141646

IUPACN-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12-8-6-7-9-13(12)17(21(5,19)20)11-10-14(18)16-15(2,3)4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyQWLVTJPNZMMGKF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds5

About N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide

N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141646) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141646
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12-8-6-7-9-13(12)17(21(5,19)20)11-10-14(18)16-15(2,3)4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyQWLVTJPNZMMGKF-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143001
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280894
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide (CID 113141646) is N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide is Cc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is QWLVTJPNZMMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-8-6-7-9-13(12)17(21(5,19)20)11-10-14(18)16-15(2,3)4/h6-9H,10-11H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide?
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).