4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide

C25H31N3O5S — CID 55952714

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C25H31N3O5S/c1-18(29)20-11-13-23(14-12-20)34(32,33)27-17-19-7-9-21(10-8-19)25(31)26-16-15-24(30)28-22-5-3-2-4-6-22/h7-14,22,27H,2-6,15-17H2,1H3,(H,26,31)(H,28,30)
InChIKeyBTARBIPVLSETMU-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.94
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide (PubChem CID 55952714) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
PubChem CID55952714
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C25H31N3O5S/c1-18(29)20-11-13-23(14-12-20)34(32,33)27-17-19-7-9-21(10-8-19)25(31)26-16-15-24(30)28-22-5-3-2-4-6-22/h7-14,22,27H,2-6,15-17H2,1H3,(H,26,31)(H,28,30)
InChIKeyBTARBIPVLSETMU-UHFFFAOYSA-N
XLogP2.94
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55951815
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide (CID 55952714) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
The InChIKey is BTARBIPVLSETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-18(29)20-11-13-23(14-12-20)34(32,33)27-17-19-7-9-21(10-8-19)25(31)26-16-15-24(30)28-22-5-3-2-4-6-22/h7-14,22,27H,2-6,15-17H2,1H3,(H,26,31)(H,28,30).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide has a molecular weight of 485.61 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 55952714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).