2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide

C17H25N3O2S — CID 56788094

IUPAC2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide
SMILESCCSC1CCCCN(CC(=O)Nc2ccccc2C(N)=O)C1
InChIInChI=1S/C17H25N3O2S/c1-2-23-13-7-5-6-10-20(11-13)12-16(21)19-15-9-4-3-8-14(15)17(18)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyPILZKXLFPQKQJT-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide

2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide (PubChem CID 56788094) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide
PubChem CID56788094
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide
SMILESCCSC1CCCCN(CC(=O)Nc2ccccc2C(N)=O)C1
InChIInChI=1S/C17H25N3O2S/c1-2-23-13-7-5-6-10-20(11-13)12-16(21)19-15-9-4-3-8-14(15)17(18)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyPILZKXLFPQKQJT-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
2-[1-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]ethylideneamino]acetic acid
CID 135012239

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide (CID 56788094) is 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide is CCSC1CCCCN(CC(=O)Nc2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is PILZKXLFPQKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-23-13-7-5-6-10-20(11-13)12-16(21)19-15-9-4-3-8-14(15)17(18)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide?
2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 335.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56788094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).