4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide

C26H28N2O5S — CID 24681406

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-19-10-14-22(15-11-19)33-25-8-5-4-7-24(25)27-26(30)9-6-18-28(3)34(31,32)23-16-12-21(13-17-23)20(2)29/h4-5,7-8,10-17H,6,9,18H2,1-3H3,(H,27,30)
InChIKeyVPIPFNUUSKMEDO-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.03
Rot. Bonds10

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide (PubChem CID 24681406) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
PubChem CID24681406
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-19-10-14-22(15-11-19)33-25-8-5-4-7-24(25)27-26(30)9-6-18-28(3)34(31,32)23-16-12-21(13-17-23)20(2)29/h4-5,7-8,10-17H,6,9,18H2,1-3H3,(H,27,30)
InChIKeyVPIPFNUUSKMEDO-UHFFFAOYSA-N
XLogP5.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 26890892
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate
CID 30932748
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(2-methoxyphenyl)butanamide
CID 18593158

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide (CID 24681406) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide?
The InChIKey is VPIPFNUUSKMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-19-10-14-22(15-11-19)33-25-8-5-4-7-24(25)27-26(30)9-6-18-28(3)34(31,32)23-16-12-21(13-17-23)20(2)29/h4-5,7-8,10-17H,6,9,18H2,1-3H3,(H,27,30).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide has a molecular weight of 480.59 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide is sourced from PubChem (CID 24681406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).