N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C20H19N3O4S2 — CID 108781114

IUPACN-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C20H19N3O4S2/c1-13(24)21-17-9-10-27-19-8-7-14(11-16(17)19)18-12-28-20(22-18)23-29(25,26)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyHCSSOSMCHNZSDT-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.57
Rot. Bonds5

About N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 108781114) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID108781114
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C20H19N3O4S2/c1-13(24)21-17-9-10-27-19-8-7-14(11-16(17)19)18-12-28-20(22-18)23-29(25,26)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyHCSSOSMCHNZSDT-UHFFFAOYSA-N
XLogP3.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781109
N-[6-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781116
N-[6-[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781120
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853
N-[6-[2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108773175
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 108730820
N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108773181

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 108781114) is N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccccc4)n3)cc21.
What is the InChIKey of N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is HCSSOSMCHNZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-13(24)21-17-9-10-27-19-8-7-14(11-16(17)19)18-12-28-20(22-18)23-29(25,26)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 108781114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).