4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

C19H21N3O4S — CID 26289281

IUPAC4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-5-3-4-16(12-17)21-19(24)14-8-10-15(11-9-14)20-18(23)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMIFNAGKGPDDFBX-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.54
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 26289281) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID26289281
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-5-3-4-16(12-17)21-19(24)14-8-10-15(11-9-14)20-18(23)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMIFNAGKGPDDFBX-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 42993002
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (CID 26289281) is 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is MIFNAGKGPDDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-5-3-4-16(12-17)21-19(24)14-8-10-15(11-9-14)20-18(23)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 26289281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).