N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide

C19H23N3O4S2 — CID 176658398

IUPACN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-12-18(27-19(20-12)21-17(23)11-26-2)14-5-8-16-13(10-14)4-3-9-22(16)28(24,25)15-6-7-15/h5,8,10,15H,3-4,6-7,9,11H2,1-2H3,(H,20,21,23)
InChIKeyVVRQTXYWJXZRAN-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.95
Rot. Bonds6

About N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide

N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide (PubChem CID 176658398) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide
PubChem CID176658398
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)s1
InChIInChI=1S/C19H23N3O4S2/c1-12-18(27-19(20-12)21-17(23)11-26-2)14-5-8-16-13(10-14)4-3-9-22(16)28(24,25)15-6-7-15/h5,8,10,15H,3-4,6-7,9,11H2,1-2H3,(H,20,21,23)
InChIKeyVVRQTXYWJXZRAN-UHFFFAOYSA-N
XLogP2.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide (CID 176658398) is N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide is COCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)s1.
What is the InChIKey of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide?
The InChIKey is VVRQTXYWJXZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-12-18(27-19(20-12)21-17(23)11-26-2)14-5-8-16-13(10-14)4-3-9-22(16)28(24,25)15-6-7-15/h5,8,10,15H,3-4,6-7,9,11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide?
N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide has a molecular weight of 421.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 176658398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).