N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C25H29N3O4S2 — CID 43060346

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C25H29N3O4S2/c29-25(26-19-24(20-5-2-1-3-6-20)28-14-16-32-17-15-28)21-8-10-23(11-9-21)34(30,31)27-13-12-22-7-4-18-33-22/h1-11,18,24,27H,12-17,19H2,(H,26,29)
InChIKeyVWUPZNPTWMWGQP-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.07
Rot. Bonds10

About N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 43060346) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID43060346
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C25H29N3O4S2/c29-25(26-19-24(20-5-2-1-3-6-20)28-14-16-32-17-15-28)21-8-10-23(11-9-21)34(30,31)27-13-12-22-7-4-18-33-22/h1-11,18,24,27H,12-17,19H2,(H,26,29)
InChIKeyVWUPZNPTWMWGQP-UHFFFAOYSA-N
XLogP3.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 43060346) is N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is VWUPZNPTWMWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c29-25(26-19-24(20-5-2-1-3-6-20)28-14-16-32-17-15-28)21-8-10-23(11-9-21)34(30,31)27-13-12-22-7-4-18-33-22/h1-11,18,24,27H,12-17,19H2,(H,26,29).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 499.66 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 43060346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).