5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide

C21H25N3O4S — CID 46401488

IUPAC5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-10-18(29(27,28)23-17-8-9-17)12-19(14)20(25)22-13-15-5-4-6-16(11-15)21(26)24(2)3/h4-7,10-12,17,23H,8-9,13H2,1-3H3,(H,22,25)
InChIKeyKRAXTGCJWNRURU-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.07
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 46401488) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
PubChem CID46401488
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-10-18(29(27,28)23-17-8-9-17)12-19(14)20(25)22-13-15-5-4-6-16(11-15)21(26)24(2)3/h4-7,10-12,17,23H,8-9,13H2,1-3H3,(H,22,25)
InChIKeyKRAXTGCJWNRURU-UHFFFAOYSA-N
XLogP2.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
CID 39502349
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-thiophen-3-ylethyl)benzamide
CID 46413675
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 46679738

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide (CID 46401488) is 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is KRAXTGCJWNRURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-7-10-18(29(27,28)23-17-8-9-17)12-19(14)20(25)22-13-15-5-4-6-16(11-15)21(26)24(2)3/h4-7,10-12,17,23H,8-9,13H2,1-3H3,(H,22,25).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 46401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).