N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H23N3O5S — CID 68954115

IUPACN-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C17H23N3O5S/c1-10-17(11(2)25-18-10)26(21,22)19-14-6-7-15(23-5)13-8-12(20(3)4)9-24-16(13)14/h6-7,12,19H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyRVYJRYHIKALARY-GFCCVEGCSA-N
MW381.45 g/mol
LogP1.97
Rot. Bonds5

About N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 68954115) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID68954115
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C17H23N3O5S/c1-10-17(11(2)25-18-10)26(21,22)19-14-6-7-15(23-5)13-8-12(20(3)4)9-24-16(13)14/h6-7,12,19H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyRVYJRYHIKALARY-GFCCVEGCSA-N
XLogP1.97
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 68954115) is N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)noc2C)c2c1C[C@@H](N(C)C)CO2.
What is the InChIKey of N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RVYJRYHIKALARY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-10-17(11(2)25-18-10)26(21,22)19-14-6-7-15(23-5)13-8-12(20(3)4)9-24-16(13)14/h6-7,12,19H,8-9H2,1-5H3/t12-/m1/s1.
What are the key properties of N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 381.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 68954115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).