N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C24H32N4O4S — CID 42305435

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-2-27-13-15-28(16-14-27)21-9-7-20(8-10-21)26-24(29)19-5-11-23(12-6-19)33(30,31)25-18-22-4-3-17-32-22/h5-12,22,25H,2-4,13-18H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyDEHNVIIYRHLRBG-QFIPXVFZSA-N
MW472.61 g/mol
LogP2.54
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 42305435) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID42305435
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c1-2-27-13-15-28(16-14-27)21-9-7-20(8-10-21)26-24(29)19-5-11-23(12-6-19)33(30,31)25-18-22-4-3-17-32-22/h5-12,22,25H,2-4,13-18H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyDEHNVIIYRHLRBG-QFIPXVFZSA-N
XLogP2.54
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41119372
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 42305435) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is DEHNVIIYRHLRBG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-2-27-13-15-28(16-14-27)21-9-7-20(8-10-21)26-24(29)19-5-11-23(12-6-19)33(30,31)25-18-22-4-3-17-32-22/h5-12,22,25H,2-4,13-18H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 472.61 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 42305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).