2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride

C11H18ClN3O3S — CID 119298074

IUPAC2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CN)cc1C.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-3-18(16,17)14-10-5-4-9(6-8(10)2)13-11(15)7-12;/h4-6,14H,3,7,12H2,1-2H3,(H,13,15);1H
InChIKeyPWJFOINMXBZWRF-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride

2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride (PubChem CID 119298074) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
PubChem CID119298074
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CN)cc1C.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-3-18(16,17)14-10-5-4-9(6-8(10)2)13-11(15)7-12;/h4-6,14H,3,7,12H2,1-2H3,(H,13,15);1H
InChIKeyPWJFOINMXBZWRF-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 55947056
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride (CID 119298074) is 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)CN)cc1C.Cl.
What is the InChIKey of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride?
The InChIKey is PWJFOINMXBZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-3-18(16,17)14-10-5-4-9(6-8(10)2)13-11(15)7-12;/h4-6,14H,3,7,12H2,1-2H3,(H,13,15);1H.
What are the key properties of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride?
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119298074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).