3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide

C20H22N2O3S — CID 55910430

IUPAC3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O3S/c21-20(24)14-4-3-5-16(12-14)25-13-19(23)22-15-8-10-18(11-9-15)26-17-6-1-2-7-17/h3-5,8-12,17H,1-2,6-7,13H2,(H2,21,24)(H,22,23)
InChIKeyPYRKNGICBWZCGV-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.84
Rot. Bonds7

About 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide

3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide (PubChem CID 55910430) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide
PubChem CID55910430
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O3S/c21-20(24)14-4-3-5-16(12-14)25-13-19(23)22-15-8-10-18(11-9-15)26-17-6-1-2-7-17/h3-5,8-12,17H,1-2,6-7,13H2,(H2,21,24)(H,22,23)
InChIKeyPYRKNGICBWZCGV-UHFFFAOYSA-N
XLogP3.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[2-(3-carbamoylphenoxy)acetyl]amino]phenoxy]acetate
CID 55911984
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
CID 28512642
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
CID 55680625
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide
CID 95275437

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide (CID 55910430) is 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)Nc2ccc(SC3CCCC3)cc2)c1.
What is the InChIKey of 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide?
The InChIKey is PYRKNGICBWZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c21-20(24)14-4-3-5-16(12-14)25-13-19(23)22-15-8-10-18(11-9-15)26-17-6-1-2-7-17/h3-5,8-12,17H,1-2,6-7,13H2,(H2,21,24)(H,22,23).
What are the key properties of 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide?
3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55910430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).