N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide

C17H18N2O4S — CID 94064827

IUPACN-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-6-8-16(9-7-14)24(21,22)19-15-10-13-4-2-3-5-17(13)23-11-15/h2-9,15,19H,10-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyLJAREPZZDNOSDO-OAHLLOKOSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds4

About N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 94064827) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID94064827
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-6-8-16(9-7-14)24(21,22)19-15-10-13-4-2-3-5-17(13)23-11-15/h2-9,15,19H,10-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyLJAREPZZDNOSDO-OAHLLOKOSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)sulfamoyl]phenyl]acetamide
CID 53210004
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
3-bromo-N-(3,4-dihydro-2H-chromen-3-yl)-5-nitrobenzenesulfonamide
CID 86902082
N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
CID 67615689
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 26003292
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide (CID 94064827) is N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2COc3ccccc3C2)cc1.
What is the InChIKey of N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is LJAREPZZDNOSDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)18-14-6-8-16(9-7-14)24(21,22)19-15-10-13-4-2-3-5-17(13)23-11-15/h2-9,15,19H,10-11H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 94064827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).