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

C15H24N2O4S — CID 113144500

IUPACN-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-11-17(22(5,19)20)12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyDUJNWQFDSBGJDS-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.77
Rot. Bonds6

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

N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144500) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144500
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-11-17(22(5,19)20)12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyDUJNWQFDSBGJDS-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
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-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143001
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide (CID 113144500) is N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide is COc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is DUJNWQFDSBGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)10-11-17(22(5,19)20)12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).