benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate

C18H22N2O5S — CID 175508345

IUPACbenzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(CC(C)NC(=O)OCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N2O5S/c1-13(20-18(21)25-12-14-6-4-3-5-7-14)10-15-8-9-16(24-2)17(11-15)26(19,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyBDSRHBCPZVKOFR-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.20
Rot. Bonds7

About benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate

benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate (PubChem CID 175508345) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
PubChem CID175508345
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Namebenzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
SMILESCOc1ccc(CC(C)NC(=O)OCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N2O5S/c1-13(20-18(21)25-12-14-6-4-3-5-7-14)10-15-8-9-16(24-2)17(11-15)26(19,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyBDSRHBCPZVKOFR-UHFFFAOYSA-N
XLogP2.20
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908
CID 121288754
CID 121288754
(2S)-3-(3-amino-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 68910907
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
CID 59963897
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate (CID 175508345) is benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate is COc1ccc(CC(C)NC(=O)OCc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
The InChIKey is BDSRHBCPZVKOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13(20-18(21)25-12-14-6-4-3-5-7-14)10-15-8-9-16(24-2)17(11-15)26(19,22)23/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate?
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate has a molecular weight of 378.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 175508345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).