N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide

C17H26N4O4S — CID 110408469

IUPACN-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCCN1CCN(C(=O)CCS(=O)(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-3-20-8-10-21(11-9-20)17(23)7-12-26(24,25)19-16-6-4-5-15(13-16)18-14(2)22/h4-6,13,19H,3,7-12H2,1-2H3,(H,18,22)
InChIKeyDVYXAOJMFBHJPQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.94
Rot. Bonds7

About N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide

N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (PubChem CID 110408469) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
PubChem CID110408469
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCCN1CCN(C(=O)CCS(=O)(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O4S/c1-3-20-8-10-21(11-9-20)17(23)7-12-26(24,25)19-16-6-4-5-15(13-16)18-14(2)22/h4-6,13,19H,3,7-12H2,1-2H3,(H,18,22)
InChIKeyDVYXAOJMFBHJPQ-UHFFFAOYSA-N
XLogP0.94
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110416843
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110417621
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
N-(3-acetamidophenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 42534412
N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 109017571
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (CID 110408469) is N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is CCN1CCN(C(=O)CCS(=O)(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The InChIKey is DVYXAOJMFBHJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-3-20-8-10-21(11-9-20)17(23)7-12-26(24,25)19-16-6-4-5-15(13-16)18-14(2)22/h4-6,13,19H,3,7-12H2,1-2H3,(H,18,22).
What are the key properties of N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110408469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).