N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

C20H25ClN2O4S — CID 55977497

IUPACN-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCCCCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H25ClN2O4S/c1-3-4-12-27-17-8-9-19(15(2)13-17)23-20(24)10-11-22-28(25,26)18-7-5-6-16(21)14-18/h5-9,13-14,22H,3-4,10-12H2,1-2H3,(H,23,24)
InChIKeyJIPBSPAYJJODGK-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.13
Rot. Bonds10

About N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55977497) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID55977497
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCCCCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H25ClN2O4S/c1-3-4-12-27-17-8-9-19(15(2)13-17)23-20(24)10-11-22-28(25,26)18-7-5-6-16(21)14-18/h5-9,13-14,22H,3-4,10-12H2,1-2H3,(H,23,24)
InChIKeyJIPBSPAYJJODGK-UHFFFAOYSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 55977497) is N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is CCCCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is JIPBSPAYJJODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-3-4-12-27-17-8-9-19(15(2)13-17)23-20(24)10-11-22-28(25,26)18-7-5-6-16(21)14-18/h5-9,13-14,22H,3-4,10-12H2,1-2H3,(H,23,24).
What are the key properties of N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 424.95 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55977497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).