N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

C25H25N3O4S — CID 46467572

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-16-5-3-4-6-22(16)28-33(31,32)21-13-10-19(11-14-21)25(30)27-23-15-20(12-7-17(23)2)26-24(29)18-8-9-18/h3-7,10-15,18,28H,8-9H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPHQUHSQWNBQVGW-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.71
Rot. Bonds7

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 46467572) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID46467572
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-16-5-3-4-6-22(16)28-33(31,32)21-13-10-19(11-14-21)25(30)27-23-15-20(12-7-17(23)2)26-24(29)18-8-9-18/h3-7,10-15,18,28H,8-9H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPHQUHSQWNBQVGW-UHFFFAOYSA-N
XLogP4.71
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 46467570
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55584138

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 46467572) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is PHQUHSQWNBQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16-5-3-4-6-22(16)28-33(31,32)21-13-10-19(11-14-21)25(30)27-23-15-20(12-7-17(23)2)26-24(29)18-8-9-18/h3-7,10-15,18,28H,8-9H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46467572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).