2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C27H32N4O3S — CID 4642015

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O3S/c1-29(2)35(33,34)25-15-13-24(14-16-25)28-26(32)21-30-17-19-31(20-18-30)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,27H,17-21H2,1-2H3,(H,28,32)
InChIKeyGNWYOANSCAPPFO-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4642015) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4642015
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O3S/c1-29(2)35(33,34)25-15-13-24(14-16-25)28-26(32)21-30-17-19-31(20-18-30)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,27H,17-21H2,1-2H3,(H,28,32)
InChIKeyGNWYOANSCAPPFO-UHFFFAOYSA-N
XLogP3.28
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115
2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CID 22198313
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2518924
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 4642015) is 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is GNWYOANSCAPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-29(2)35(33,34)25-15-13-24(14-16-25)28-26(32)21-30-17-19-31(20-18-30)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,27H,17-21H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 492.65 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4642015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).