4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C23H24N2O4S2 — CID 27532573

IUPAC4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)29-20-10-7-17(8-11-20)23(26)24-19-9-12-21-18(15-19)5-3-13-25(21)31(27,28)22-6-4-14-30-22/h4,6-12,14-16H,3,5,13H2,1-2H3,(H,24,26)
InChIKeyMURZOMPMTOZCAX-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.93
Rot. Bonds6

About 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 27532573) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID27532573
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)29-20-10-7-17(8-11-20)23(26)24-19-9-12-21-18(15-19)5-3-13-25(21)31(27,28)22-6-4-14-30-22/h4,6-12,14-16H,3,5,13H2,1-2H3,(H,24,26)
InChIKeyMURZOMPMTOZCAX-UHFFFAOYSA-N
XLogP4.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893
3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-propan-2-yloxybenzamide
CID 27532570
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
CID 30679153
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
2,4-dimethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27441200
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 27532573) is 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is MURZOMPMTOZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-16(2)29-20-10-7-17(8-11-20)23(26)24-19-9-12-21-18(15-19)5-3-13-25(21)31(27,28)22-6-4-14-30-22/h4,6-12,14-16H,3,5,13H2,1-2H3,(H,24,26).
What are the key properties of 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 27532573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).