N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide

C33H35N3O5S — CID 17353555

IUPACN-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C33H35N3O5S/c1-40-24-25-41-30-16-12-28(13-17-30)33(37)34-29-14-18-31(19-15-29)42(38,39)36-22-20-35(21-23-36)32(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-19,32H,20-25H2,1H3,(H,34,37)
InChIKeyZOAJUMLEHYTHIL-UHFFFAOYSA-N
MW585.73 g/mol
LogP5.06
Rot. Bonds11

About N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide

N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 17353555) has the molecular formula C33H35N3O5S and a molecular weight of 585.73 g/mol. Its IUPAC name is N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
PubChem CID17353555
Molecular FormulaC33H35N3O5S
Molecular Weight585.73 g/mol
Exact Mass585.23
IUPAC NameN-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C33H35N3O5S/c1-40-24-25-41-30-16-12-28(13-17-30)33(37)34-29-14-18-31(19-15-29)42(38,39)36-22-20-35(21-23-36)32(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-19,32H,20-25H2,1H3,(H,34,37)
InChIKeyZOAJUMLEHYTHIL-UHFFFAOYSA-N
XLogP5.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-ethoxybenzamide
CID 4949091
1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-ethoxyethoxy)benzamide
CID 17122780
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093294
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-ethoxybenzamide
CID 4957742
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 4946367
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953019
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(3-methylphenoxy)acetamide
CID 4946376
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide (CID 17353555) is N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is ZOAJUMLEHYTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O5S/c1-40-24-25-41-30-16-12-28(13-17-30)33(37)34-29-14-18-31(19-15-29)42(38,39)36-22-20-35(21-23-36)32(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-19,32H,20-25H2,1H3,(H,34,37).
What are the key properties of N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide?
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 585.73 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17353555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).