N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide

C17H25N3O4S — CID 110810200

IUPACN-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide
SMILESCCCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-13-25(23,24)20-10-6-9-19(11-12-20)16(21)14-18-17(22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,22)
InChIKeyUMACOMBHZNWEQH-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.69
Rot. Bonds6

About N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide

N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide (PubChem CID 110810200) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide
PubChem CID110810200
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide
SMILESCCCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-13-25(23,24)20-10-6-9-19(11-12-20)16(21)14-18-17(22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,22)
InChIKeyUMACOMBHZNWEQH-UHFFFAOYSA-N
XLogP0.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756
3-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 110798776
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
(3-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798366
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-butoxybenzamide
CID 27510251
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide (CID 110810200) is N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide is CCCS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide?
The InChIKey is UMACOMBHZNWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-13-25(23,24)20-10-6-9-19(11-12-20)16(21)14-18-17(22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,22).
What are the key properties of N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide?
N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-propylsulfonyl-1,4-diazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 110810200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).