N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H26N2O4S — CID 17496304

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2COc3ccccc3C2)ccc1C
InChIInChI=1S/C21H26N2O4S/c1-4-23(5-2)28(25,26)20-13-18(11-10-15(20)3)22-21(24)17-12-16-8-6-7-9-19(16)27-14-17/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyLWLOMVDVRKTOHA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 17496304) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID17496304
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2COc3ccccc3C2)ccc1C
InChIInChI=1S/C21H26N2O4S/c1-4-23(5-2)28(25,26)20-13-18(11-10-15(20)3)22-21(24)17-12-16-8-6-7-9-19(16)27-14-17/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyLWLOMVDVRKTOHA-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26708035
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3920148
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46665709
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 17496304) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2COc3ccccc3C2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LWLOMVDVRKTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-23(5-2)28(25,26)20-13-18(11-10-15(20)3)22-21(24)17-12-16-8-6-7-9-19(16)27-14-17/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 17496304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).