N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide

C15H24N2O3S — CID 113141870

IUPACN-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-5-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyHIZOXCUKUGILJJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds8

About N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide

N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141870) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141870
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-5-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyHIZOXCUKUGILJJ-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide (CID 113141870) is N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide is CCCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is HIZOXCUKUGILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide?
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).