6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide

C19H22N2O4S — CID 69164409

IUPAC6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C(N)=O)O3)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)13-3-6-15(7-4-13)21-26(23,24)16-8-10-17-14(11-16)5-9-18(25-17)19(20)22/h3-4,6-8,10-12,18,21H,5,9H2,1-2H3,(H2,20,22)
InChIKeyDNNLNEICWFJBNZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.79
Rot. Bonds5

About 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide

6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 69164409) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID69164409
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C(N)=O)O3)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)13-3-6-15(7-4-13)21-26(23,24)16-8-10-17-14(11-16)5-9-18(25-17)19(20)22/h3-4,6-8,10-12,18,21H,5,9H2,1-2H3,(H2,20,22)
InChIKeyDNNLNEICWFJBNZ-UHFFFAOYSA-N
XLogP2.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 69164409) is 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide is CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C(N)=O)O3)cc1.
What is the InChIKey of 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is DNNLNEICWFJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(2)13-3-6-15(7-4-13)21-26(23,24)16-8-10-17-14(11-16)5-9-18(25-17)19(20)22/h3-4,6-8,10-12,18,21H,5,9H2,1-2H3,(H2,20,22).
What are the key properties of 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylphenyl)sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 69164409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).