3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2O2S2 — CID 53323748

IUPAC3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(S(C)=O)c(-c2cccs2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N2O2S2/c1-3-18(16-10-5-4-6-11-16)26-24(27)21-17-12-7-8-13-19(17)25-22(23(21)30(2)28)20-14-9-15-29-20/h4-15,18H,3H2,1-2H3,(H,26,27)/t18-,30?/m0/s1
InChIKeyVATQOVACVWBCQL-RZQQEOIVSA-N
MW434.59 g/mol
LogP5.58
Rot. Bonds6

About 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide

3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 53323748) has the molecular formula C24H22N2O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID53323748
Molecular FormulaC24H22N2O2S2
Molecular Weight434.59 g/mol
Exact Mass434.11
IUPAC Name3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(S(C)=O)c(-c2cccs2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H22N2O2S2/c1-3-18(16-10-5-4-6-11-16)26-24(27)21-17-12-7-8-13-19(17)25-22(23(21)30(2)28)20-14-9-15-29-20/h4-15,18H,3H2,1-2H3,(H,26,27)/t18-,30?/m0/s1
InChIKeyVATQOVACVWBCQL-RZQQEOIVSA-N
XLogP5.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
(S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16064397
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53325403
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
N-[4-(quinolin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188506
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
CID 4589156
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]quinoline-4-carboxamide
CID 5197629
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 53323748) is 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide is CC[C@H](NC(=O)c1c(S(C)=O)c(-c2cccs2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is VATQOVACVWBCQL-RZQQEOIVSA-N. The full InChI is InChI=1S/C24H22N2O2S2/c1-3-18(16-10-5-4-6-11-16)26-24(27)21-17-12-7-8-13-19(17)25-22(23(21)30(2)28)20-14-9-15-29-20/h4-15,18H,3H2,1-2H3,(H,26,27)/t18-,30?/m0/s1.
What are the key properties of 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide?
3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 53323748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).