N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C20H24N2O3S — CID 53287051

IUPACN-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NC3CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-14-10-15(2)12-19(11-14)22(26(3,24)25)13-16-4-6-17(7-5-16)20(23)21-18-8-9-18/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,21,23)
InChIKeyOLMFLEGOHVAEPQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.16
Rot. Bonds6

About N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 53287051) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID53287051
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NC3CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-14-10-15(2)12-19(11-14)22(26(3,24)25)13-16-4-6-17(7-5-16)20(23)21-18-8-9-18/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,21,23)
InChIKeyOLMFLEGOHVAEPQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287371
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
N-cyclohexyl-2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132623226
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191713
(2R)-2-[benzyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524299
N-benzyl-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132623188
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92680447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 53287051) is N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is OLMFLEGOHVAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-15(2)12-19(11-14)22(26(3,24)25)13-16-4-6-17(7-5-16)20(23)21-18-8-9-18/h4-7,10-12,18H,8-9,13H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 53287051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).