N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide

C21H24N2O4S — CID 26955320

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-3-4-13-23(2)28(25,26)19-11-9-18(10-12-19)22-21(24)17-14-16-7-5-6-8-20(16)27-15-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24)
InChIKeyLRMMLRRBVCARIZ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide (PubChem CID 26955320) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
PubChem CID26955320
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-3-4-13-23(2)28(25,26)19-11-9-18(10-12-19)22-21(24)17-14-16-7-5-6-8-20(16)27-15-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24)
InChIKeyLRMMLRRBVCARIZ-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
(3R)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7733395
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43004758
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide (CID 26955320) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide?
The InChIKey is LRMMLRRBVCARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-3-4-13-23(2)28(25,26)19-11-9-18(10-12-19)22-21(24)17-14-16-7-5-6-8-20(16)27-15-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 26955320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).