2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H24ClN3O4S — CID 120786313

IUPAC2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C19H23N3O4S.ClH/c20-18(14-9-11-26-12-10-14)19(23)21-15-5-4-6-16(13-15)22-27(24,25)17-7-2-1-3-8-17;/h1-8,13-14,18,22H,9-12,20H2,(H,21,23);1H
InChIKeySHDJJKFXZMTJBX-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.60
Rot. Bonds6

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

2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786313) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786313
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C19H23N3O4S.ClH/c20-18(14-9-11-26-12-10-14)19(23)21-15-5-4-6-16(13-15)22-27(24,25)17-7-2-1-3-8-17;/h1-8,13-14,18,22H,9-12,20H2,(H,21,23);1H
InChIKeySHDJJKFXZMTJBX-UHFFFAOYSA-N
XLogP2.60
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
CID 120799757
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795787

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786313) is 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is SHDJJKFXZMTJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c20-18(14-9-11-26-12-10-14)19(23)21-15-5-4-6-16(13-15)22-27(24,25)17-7-2-1-3-8-17;/h1-8,13-14,18,22H,9-12,20H2,(H,21,23);1H.
What are the key properties of 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).