N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H18N2O4S — CID 134042695

IUPACN-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-15-8-6-14(7-9-15)18-17(20)13-10-12-4-2-3-5-16(12)23-11-13/h2-9,13,19H,10-11H2,1H3,(H,18,20)
InChIKeyWUANZTBQHVGLOC-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134042695) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134042695
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-15-8-6-14(7-9-15)18-17(20)13-10-12-4-2-3-5-16(12)23-11-13/h2-9,13,19H,10-11H2,1H3,(H,18,20)
InChIKeyWUANZTBQHVGLOC-UHFFFAOYSA-N
XLogP2.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
(3R)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51672774
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
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]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134042695) is N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)C2COc3ccccc3C2)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WUANZTBQHVGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-24(21,22)19-15-8-6-14(7-9-15)18-17(20)13-10-12-4-2-3-5-16(12)23-11-13/h2-9,13,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134042695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).