methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate

C20H20N4O5S — CID 90562370

IUPACmethyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H20N4O5S/c1-28-20(25)21-15-8-10-16(11-9-15)30(26,27)24-17-5-3-2-4-14(17)12-18-22-19(23-29-18)13-6-7-13/h2-5,8-11,13,24H,6-7,12H2,1H3,(H,21,25)
InChIKeyGDEAMQAJIDLWPM-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.52
Rot. Bonds7

About methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate

methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate (PubChem CID 90562370) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
PubChem CID90562370
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Namemethyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H20N4O5S/c1-28-20(25)21-15-8-10-16(11-9-15)30(26,27)24-17-5-3-2-4-14(17)12-18-22-19(23-29-18)13-6-7-13/h2-5,8-11,13,24H,6-7,12H2,1H3,(H,21,25)
InChIKeyGDEAMQAJIDLWPM-UHFFFAOYSA-N
XLogP3.52
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-sulfonamide
CID 90562286
1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
CID 90562232
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(2,3-dimethoxyphenyl)urea
CID 90562248
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 90562308
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586
5-cyclopropyl-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 71800500
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 91939341
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(2,4-difluorophenyl)acetamide
CID 90562214
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate (CID 90562370) is methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1.
What is the InChIKey of methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate?
The InChIKey is GDEAMQAJIDLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-28-20(25)21-15-8-10-16(11-9-15)30(26,27)24-17-5-3-2-4-14(17)12-18-22-19(23-29-18)13-6-7-13/h2-5,8-11,13,24H,6-7,12H2,1H3,(H,21,25).
What are the key properties of methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate?
methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate has a molecular weight of 428.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 90562370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).