N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide

C18H20N2O5S — CID 9193334

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O5S/c1-20(24-2)26(22,23)14-7-5-6-13(12-14)18(21)19-16-10-11-25-17-9-4-3-8-15(16)17/h3-9,12,16H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOYLSYICWDBIVJT-INIZCTEOSA-N
MW376.43 g/mol
LogP2.12
Rot. Bonds5

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 9193334) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID9193334
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O5S/c1-20(24-2)26(22,23)14-7-5-6-13(12-14)18(21)19-16-10-11-25-17-9-4-3-8-15(16)17/h3-9,12,16H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOYLSYICWDBIVJT-INIZCTEOSA-N
XLogP2.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 96529997
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 9193334) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is OYLSYICWDBIVJT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-20(24-2)26(22,23)14-7-5-6-13(12-14)18(21)19-16-10-11-25-17-9-4-3-8-15(16)17/h3-9,12,16H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 9193334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).