N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide

C18H20N2O4S — CID 9165579

IUPACN-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-4-2-3-5-17(16)25(22,23)19-12-13-6-8-14(9-7-13)18(21)20-15-10-11-15/h2-9,15,19H,10-12H2,1H3,(H,20,21)
InChIKeyXNWSLACOFVESEE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.07
Rot. Bonds7

About N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide

N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 9165579) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID9165579
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-4-2-3-5-17(16)25(22,23)19-12-13-6-8-14(9-7-13)18(21)20-15-10-11-15/h2-9,15,19H,10-12H2,1H3,(H,20,21)
InChIKeyXNWSLACOFVESEE-UHFFFAOYSA-N
XLogP2.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9214466
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
2-methoxy-N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155516846
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
4-benzyl-N-cyclopropylbenzamide
CID 45086871

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 9165579) is N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is XNWSLACOFVESEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-4-2-3-5-17(16)25(22,23)19-12-13-6-8-14(9-7-13)18(21)20-15-10-11-15/h2-9,15,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 360.44 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 N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 9165579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).