N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide

C26H27ClN2O3S — CID 28557580

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c1-19(21-11-13-23(27)14-12-21)28-26(30)17-10-20-8-15-24(16-9-20)33(31,32)29-18-4-6-22-5-2-3-7-25(22)29/h2-3,5,7-9,11-16,19H,4,6,10,17-18H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyHWKIWMAUSQLBOF-IBGZPJMESA-N
MW483.03 g/mol
LogP5.29
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide (PubChem CID 28557580) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
PubChem CID28557580
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c1-19(21-11-13-23(27)14-12-21)28-26(30)17-10-20-8-15-24(16-9-20)33(31,32)29-18-4-6-22-5-2-3-7-25(22)29/h2-3,5,7-9,11-16,19H,4,6,10,17-18H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyHWKIWMAUSQLBOF-IBGZPJMESA-N
XLogP5.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 43873922
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28557583
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555324
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 100796296
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 17225798
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide (CID 28557580) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide is C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
The InChIKey is HWKIWMAUSQLBOF-IBGZPJMESA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c1-19(21-11-13-23(27)14-12-21)28-26(30)17-10-20-8-15-24(16-9-20)33(31,32)29-18-4-6-22-5-2-3-7-25(22)29/h2-3,5,7-9,11-16,19H,4,6,10,17-18H2,1H3,(H,28,30)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide has a molecular weight of 483.03 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 28557580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).