N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide

C15H24N2O3S — CID 20630443

IUPACN-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide
SMILESCCCCc1ccc(NC(=O)CNS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-13-7-9-14(10-8-13)17-15(18)11-16-21(19,20)12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyUCSLAPYCQOKUKU-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.30
Rot. Bonds8

About N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide

N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide (PubChem CID 20630443) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide
PubChem CID20630443
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide
SMILESCCCCc1ccc(NC(=O)CNS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-13-7-9-14(10-8-13)17-15(18)11-16-21(19,20)12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyUCSLAPYCQOKUKU-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-[4-(aminomethyl)phenyl]acetamide
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CID 164621917
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(4-acetamidophenyl)-2-(N-ethyl-2-phenylethenesulfonamido)acetamide
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N-(1-Methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-N-p-tolyl-methanesulfonamide
CID 3158631
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 8158736
N-(4-(((2-Phenylethyl)amino)sulfonyl)phenyl)ethanamide
CID 669172
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-ethyl-1-phenylmethanesulfonamide
CID 89659369
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-1-phenyl-N-propylmethanesulfonamide
CID 89659412
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-1-phenyl-N-propan-2-ylmethanesulfonamide
CID 89659415

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide (CID 20630443) is N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide is CCCCc1ccc(NC(=O)CNS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide?
The InChIKey is UCSLAPYCQOKUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-6-13-7-9-14(10-8-13)17-15(18)11-16-21(19,20)12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide?
N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 20630443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).