N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide

C19H22N2O4S — CID 154842608

IUPACN-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide
SMILESCCN(c1ccccc1C)S(=O)(=O)NC(=O)C1Cc2ccccc2CO1
InChIInChI=1S/C19H22N2O4S/c1-3-21(17-11-7-4-8-14(17)2)26(23,24)20-19(22)18-12-15-9-5-6-10-16(15)13-25-18/h4-11,18H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRPCTUFVOFFZVSD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.32
Rot. Bonds5

About N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide

N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide (PubChem CID 154842608) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide
PubChem CID154842608
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide
SMILESCCN(c1ccccc1C)S(=O)(=O)NC(=O)C1Cc2ccccc2CO1
InChIInChI=1S/C19H22N2O4S/c1-3-21(17-11-7-4-8-14(17)2)26(23,24)20-19(22)18-12-15-9-5-6-10-16(15)13-25-18/h4-11,18H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRPCTUFVOFFZVSD-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isochromene-3-carboxamide
CID 167957778
(3S)-N-methyl-3,4-dihydro-1H-isochromene-3-carboxamide
CID 97426893
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3,4-dihydro-1H-isochromene-3-carboxamide
CID 126920856
N-ethyl-N-(2-methylphenyl)pyrazolidine-4-sulfonamide
CID 75267481
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
CID 114461695
3-(N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 28764157
3-[N-(cyclopropylsulfamoyl)-2-methylanilino]propanoic acid
CID 114533536
3-(N-cyclopentylsulfonyl-2-methylanilino)propanoic acid
CID 105360734
3-[N-(diethylsulfamoyl)-2-methylanilino]propanoic acid
CID 60827828
(3R)-3-ethyl-3,4-dihydro-1H-isochromene
CID 130319265
(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 99642443
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The IUPAC name of N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide (CID 154842608) is N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide.
What is the SMILES notation for N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The canonical SMILES for N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide is CCN(c1ccccc1C)S(=O)(=O)NC(=O)C1Cc2ccccc2CO1.
What is the InChIKey of N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The InChIKey is RPCTUFVOFFZVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-21(17-11-7-4-8-14(17)2)26(23,24)20-19(22)18-12-15-9-5-6-10-16(15)13-25-18/h4-11,18H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-(2-methylphenyl)sulfamoyl]-3,4-dihydro-1H-isochromene-3-carboxamide is sourced from PubChem (CID 154842608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).