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

C15H24N2O4S — CID 113144672

IUPACN-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-4-5-11-16-15(18)10-12-17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyBNRDTZFKECKYDQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.77
Rot. Bonds9

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

N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144672) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144672
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)CCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-4-5-11-16-15(18)10-12-17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyBNRDTZFKECKYDQ-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-butyl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 132734055
N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxy-N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 132734863
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 113144672) is N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide is CCCCNC(=O)CCN(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is BNRDTZFKECKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-5-11-16-15(18)10-12-17(22(3,19)20)13-6-8-14(21-2)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).