5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide

C21H25N3O5S — CID 30859946

IUPAC5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O5S/c1-3-22-20(25)13-29-17-9-7-15(8-10-17)23-21(26)19-12-18(11-4-14(19)2)30(27,28)24-16-5-6-16/h4,7-12,16,24H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAFHDETZJRPPQQL-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.20
Rot. Bonds9

About 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide (PubChem CID 30859946) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
PubChem CID30859946
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O5S/c1-3-22-20(25)13-29-17-9-7-15(8-10-17)23-21(26)19-12-18(11-4-14(19)2)30(27,28)24-16-5-6-16/h4,7-12,16,24H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAFHDETZJRPPQQL-UHFFFAOYSA-N
XLogP2.20
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-(cyclopropylsulfamoyl)-N-[2-(4-ethoxyphenoxy)phenyl]-2-methylbenzamide
CID 24585807
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide (CID 30859946) is 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide is CCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide?
The InChIKey is AFHDETZJRPPQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-22-20(25)13-29-17-9-7-15(8-10-17)23-21(26)19-12-18(11-4-14(19)2)30(27,28)24-16-5-6-16/h4,7-12,16,24H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide is sourced from PubChem (CID 30859946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).