3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide

C19H17N3O3S2 — CID 8762972

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H17N3O3S2/c23-18(21-19-20-10-12-26-19)15-6-3-8-16(13-15)27(24,25)22-11-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-10,12-13H,4,7,11H2,(H,20,21,23)
InChIKeyBKNYBDVSSYOSEY-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.54
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 8762972) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID8762972
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H17N3O3S2/c23-18(21-19-20-10-12-26-19)15-6-3-8-16(13-15)27(24,25)22-11-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-10,12-13H,4,7,11H2,(H,20,21,23)
InChIKeyBKNYBDVSSYOSEY-UHFFFAOYSA-N
XLogP3.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide (CID 8762972) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BKNYBDVSSYOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-18(21-19-20-10-12-26-19)15-6-3-8-16(13-15)27(24,25)22-11-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-10,12-13H,4,7,11H2,(H,20,21,23).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 399.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 8762972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).