N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide

C24H36N4O3S2 — CID 139937739

IUPACN-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NCCCCNCCNC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C24H36N4O3S2/c29-24(20-9-3-1-4-10-20)27-19-22-13-14-23(32-22)33(30,31)28-16-8-7-15-25-17-18-26-21-11-5-2-6-12-21/h1,3-4,9-10,13-14,21,25-26,28H,2,5-8,11-12,15-19H2,(H,27,29)
InChIKeyILXQFOUXUSCHAB-UHFFFAOYSA-N
MW492.71 g/mol
LogP3.25
Rot. Bonds14

About N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide

N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 139937739) has the molecular formula C24H36N4O3S2 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID139937739
Molecular FormulaC24H36N4O3S2
Molecular Weight492.71 g/mol
Exact Mass492.22
IUPAC NameN-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NCCCCNCCNC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C24H36N4O3S2/c29-24(20-9-3-1-4-10-20)27-19-22-13-14-23(32-22)33(30,31)28-16-8-7-15-25-17-18-26-21-11-5-2-6-12-21/h1,3-4,9-10,13-14,21,25-26,28H,2,5-8,11-12,15-19H2,(H,27,29)
InChIKeyILXQFOUXUSCHAB-UHFFFAOYSA-N
XLogP3.25
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
4-chloro-N-[[5-[[6-[3-[4-[3-(ethylamino)propylamino]butylamino]propylamino]-6-oxohexyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 70805774
N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
CID 139937805
N-[[5-[3-[4-(3-aminopropylamino)butylamino]propylamino]sulfanylthiophen-2-yl]methyl]benzamide
CID 144667883
4-chloro-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161299912
N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159352689
4-chloro-N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10301851
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
CID 139937499
3-methoxy-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10185063

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide (CID 139937739) is N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)NCCCCNCCNC2CCCCC2)s1)c1ccccc1.
What is the InChIKey of N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is ILXQFOUXUSCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S2/c29-24(20-9-3-1-4-10-20)27-19-22-13-14-23(32-22)33(30,31)28-16-8-7-15-25-17-18-26-21-11-5-2-6-12-21/h1,3-4,9-10,13-14,21,25-26,28H,2,5-8,11-12,15-19H2,(H,27,29).
What are the key properties of N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide?
N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 492.71 g/mol, XLogP of 3.25, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[2-(cyclohexylamino)ethylamino]butylsulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 139937739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).