5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide

C21H26N2O3S — CID 55489119

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-20(16-8-5-14(2)6-9-16)22-21(24)19-13-18(12-7-15(19)3)27(25,26)23-17-10-11-17/h5-9,12-13,17,20,23H,4,10-11H2,1-3H3,(H,22,24)
InChIKeyODBSBCAGUSFLKM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.63
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide (PubChem CID 55489119) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide
PubChem CID55489119
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-20(16-8-5-14(2)6-9-16)22-21(24)19-13-18(12-7-15(19)3)27(25,26)23-17-10-11-17/h5-9,12-13,17,20,23H,4,10-11H2,1-3H3,(H,22,24)
InChIKeyODBSBCAGUSFLKM-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 94012354
2-methyl-N-[1-(4-methylphenyl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875457
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
CID 119187975
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
CID 55993372
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide (CID 55489119) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide is CCC(NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The InChIKey is ODBSBCAGUSFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-20(16-8-5-14(2)6-9-16)22-21(24)19-13-18(12-7-15(19)3)27(25,26)23-17-10-11-17/h5-9,12-13,17,20,23H,4,10-11H2,1-3H3,(H,22,24).
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 55489119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).