N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide

C19H25ClN4O4S — CID 71849298

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H25ClN4O4S/c1-13-15(20)5-4-6-16(13)24-19(25)12-23-18-11-14(29(26,27)21-2)7-8-17(18)22-9-10-28-3/h4-8,11,21-23H,9-10,12H2,1-3H3,(H,24,25)
InChIKeyMXHACEVCMKRUKD-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.67
Rot. Bonds10

About N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide

N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide (PubChem CID 71849298) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide
PubChem CID71849298
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H25ClN4O4S/c1-13-15(20)5-4-6-16(13)24-19(25)12-23-18-11-14(29(26,27)21-2)7-8-17(18)22-9-10-28-3/h4-8,11,21-23H,9-10,12H2,1-3H3,(H,24,25)
InChIKeyMXHACEVCMKRUKD-UHFFFAOYSA-N
XLogP2.67
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
4-(aminomethyl)-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]benzamide;hydrochloride
CID 119339072
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059936
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide (CID 71849298) is N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide is CNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide?
The InChIKey is MXHACEVCMKRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c1-13-15(20)5-4-6-16(13)24-19(25)12-23-18-11-14(29(26,27)21-2)7-8-17(18)22-9-10-28-3/h4-8,11,21-23H,9-10,12H2,1-3H3,(H,24,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide has a molecular weight of 440.95 g/mol, XLogP of 2.67, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 71849298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).