2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide

C32H30Cl2N4O5S — CID 68529167

IUPAC2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H30Cl2N4O5S/c1-36(24-7-3-2-4-8-24)31(39)22-37-17-19-38(20-18-37)32(40)23-11-14-26(15-12-23)44(41,42)35-29-9-5-6-10-30(29)43-25-13-16-27(33)28(34)21-25/h2-16,21,35H,17-20,22H2,1H3
InChIKeyDLXAPFNLDXWVCX-UHFFFAOYSA-N
MW653.59 g/mol
LogP6.01
Rot. Bonds9

About 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 68529167) has the molecular formula C32H30Cl2N4O5S and a molecular weight of 653.59 g/mol. Its IUPAC name is 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID68529167
Molecular FormulaC32H30Cl2N4O5S
Molecular Weight653.59 g/mol
Exact Mass652.13
IUPAC Name2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H30Cl2N4O5S/c1-36(24-7-3-2-4-8-24)31(39)22-37-17-19-38(20-18-37)32(40)23-11-14-26(15-12-23)44(41,42)35-29-9-5-6-10-30(29)43-25-13-16-27(33)28(34)21-25/h2-16,21,35H,17-20,22H2,1H3
InChIKeyDLXAPFNLDXWVCX-UHFFFAOYSA-N
XLogP6.01
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 68527399
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 68531721
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68533177
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55956476
N-(2-methoxyphenyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 43050311
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 68529167) is 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is DLXAPFNLDXWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N4O5S/c1-36(24-7-3-2-4-8-24)31(39)22-37-17-19-38(20-18-37)32(40)23-11-14-26(15-12-23)44(41,42)35-29-9-5-6-10-30(29)43-25-13-16-27(33)28(34)21-25/h2-16,21,35H,17-20,22H2,1H3.
What are the key properties of 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 653.59 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 68529167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).