N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C24H24N2O4S — CID 55394850

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3COc4ccccc4C3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-9-11-21(12-10-17)26-31(28,29)22-7-4-6-20(14-22)24(27)25-15-18-13-19-5-2-3-8-23(19)30-16-18/h2-12,14,18,26H,13,15-16H2,1H3,(H,25,27)
InChIKeyQWLCKFBCDHWLLD-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.78
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55394850) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55394850
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3COc4ccccc4C3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-9-11-21(12-10-17)26-31(28,29)22-7-4-6-20(14-22)24(27)25-15-18-13-19-5-2-3-8-23(19)30-16-18/h2-12,14,18,26H,13,15-16H2,1H3,(H,25,27)
InChIKeyQWLCKFBCDHWLLD-UHFFFAOYSA-N
XLogP3.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 120943382
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 100576488
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 55394850) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3COc4ccccc4C3)c2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QWLCKFBCDHWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-9-11-21(12-10-17)26-31(28,29)22-7-4-6-20(14-22)24(27)25-15-18-13-19-5-2-3-8-23(19)30-16-18/h2-12,14,18,26H,13,15-16H2,1H3,(H,25,27).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55394850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).