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

C17H25N3O4S — CID 110416843

IUPACN-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H25N3O4S/c1-14(21)18-15-7-6-8-16(13-15)19-25(23,24)12-9-17(22)20-10-4-2-3-5-11-20/h6-8,13,19H,2-5,9-12H2,1H3,(H,18,21)
InChIKeyYJGOHVVWCBYTOT-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.18
Rot. Bonds6

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

N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (PubChem CID 110416843) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
PubChem CID110416843
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H25N3O4S/c1-14(21)18-15-7-6-8-16(13-15)19-25(23,24)12-9-17(22)20-10-4-2-3-5-11-20/h6-8,13,19H,2-5,9-12H2,1H3,(H,18,21)
InChIKeyYJGOHVVWCBYTOT-UHFFFAOYSA-N
XLogP2.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-[3-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110408469
N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110417621
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
N-[3-(azepane-1-carbothioylamino)phenyl]acetamide
CID 43414200
(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
CID 55553184
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
N-(3-acetamidophenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 42534412
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
CID 110601397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide (CID 110416843) is N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)CCC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
The InChIKey is YJGOHVVWCBYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14(21)18-15-7-6-8-16(13-15)19-25(23,24)12-9-17(22)20-10-4-2-3-5-11-20/h6-8,13,19H,2-5,9-12H2,1H3,(H,18,21).
What are the key properties of N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide?
N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110416843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).