2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H22Cl2N2O2S — CID 120795787

IUPAC2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)C1CCOCC1
InChIInChI=1S/C19H21ClN2O2S.ClH/c20-14-4-6-16(7-5-14)25-17-3-1-2-15(12-17)22-19(23)18(21)13-8-10-24-11-9-13;/h1-7,12-13,18H,8-11,21H2,(H,22,23);1H
InChIKeyURCGBUHVWVRADH-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.61
Rot. Bonds5

About 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795787) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795787
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)C1CCOCC1
InChIInChI=1S/C19H21ClN2O2S.ClH/c20-14-4-6-16(7-5-14)25-17-3-1-2-15(12-17)22-19(23)18(21)13-8-10-24-11-9-13;/h1-7,12-13,18H,8-11,21H2,(H,22,23);1H
InChIKeyURCGBUHVWVRADH-UHFFFAOYSA-N
XLogP4.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582
2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786313

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795787) is 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is URCGBUHVWVRADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S.ClH/c20-14-4-6-16(7-5-14)25-17-3-1-2-15(12-17)22-19(23)18(21)13-8-10-24-11-9-13;/h1-7,12-13,18H,8-11,21H2,(H,22,23);1H.
What are the key properties of 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 413.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).