N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

C21H24ClN3O5S — CID 55993465

IUPACN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1Cl
InChIInChI=1S/C21H24ClN3O5S/c1-13-3-7-16(31(28,29)25-14-4-5-14)12-18(13)21(27)24-15-6-8-17(19(22)11-15)20(26)23-9-10-30-2/h3,6-8,11-12,14,25H,4-5,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHYULWQWFEDSHKA-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.72
Rot. Bonds9

About N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (PubChem CID 55993465) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
PubChem CID55993465
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1Cl
InChIInChI=1S/C21H24ClN3O5S/c1-13-3-7-16(31(28,29)25-14-4-5-14)12-18(13)21(27)24-15-6-8-17(19(22)11-15)20(26)23-9-10-30-2/h3,6-8,11-12,14,25H,4-5,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHYULWQWFEDSHKA-UHFFFAOYSA-N
XLogP2.72
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
CID 24585775

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (CID 55993465) is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is COCCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The InChIKey is HYULWQWFEDSHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-13-3-7-16(31(28,29)25-14-4-5-14)12-18(13)21(27)24-15-6-8-17(19(22)11-15)20(26)23-9-10-30-2/h3,6-8,11-12,14,25H,4-5,9-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide has a molecular weight of 465.96 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55993465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).