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

C18H21N3O3S2 — CID 176658273

IUPACN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)s1
InChIInChI=1S/C18H21N3O3S2/c1-11-17(25-18(19-11)20-12(2)22)14-5-8-16-13(10-14)4-3-9-21(16)26(23,24)15-6-7-15/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,19,20,22)
InChIKeyOTRGUNAWPBWRHN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.32
Rot. Bonds4

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

N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 176658273) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID176658273
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)C2CC2)s1
InChIInChI=1S/C18H21N3O3S2/c1-11-17(25-18(19-11)20-12(2)22)14-5-8-16-13(10-14)4-3-9-21(16)26(23,24)15-6-7-15/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,19,20,22)
InChIKeyOTRGUNAWPBWRHN-UHFFFAOYSA-N
XLogP3.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]acetamide?
The IUPAC name of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 176658273) is N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=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]acetamide?
The InChIKey is OTRGUNAWPBWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-11-17(25-18(19-11)20-12(2)22)14-5-8-16-13(10-14)4-3-9-21(16)26(23,24)15-6-7-15/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]acetamide is sourced from PubChem (CID 176658273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).