methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate

C19H22N2O5S — CID 91813566

IUPACmethyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(11-14-3-8-18-15(12-14)9-10-26-18)21-27(23,24)17-6-4-16(5-7-17)20-19(22)25-2/h3-8,12-13,21H,9-11H2,1-2H3,(H,20,22)
InChIKeyHDMYPDVWUHNHEX-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.71
Rot. Bonds6

About methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate

methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate (PubChem CID 91813566) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
PubChem CID91813566
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(11-14-3-8-18-15(12-14)9-10-26-18)21-27(23,24)17-6-4-16(5-7-17)20-19(22)25-2/h3-8,12-13,21H,9-11H2,1-2H3,(H,20,22)
InChIKeyHDMYPDVWUHNHEX-UHFFFAOYSA-N
XLogP2.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693973
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 100694432
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 51313250
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
CID 146515239
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate (CID 91813566) is methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate?
The InChIKey is HDMYPDVWUHNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(11-14-3-8-18-15(12-14)9-10-26-18)21-27(23,24)17-6-4-16(5-7-17)20-19(22)25-2/h3-8,12-13,21H,9-11H2,1-2H3,(H,20,22).
What are the key properties of methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate?
methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate has a molecular weight of 390.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 91813566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).