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

C27H30N2O4S — CID 28557583

IUPAC3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-20(22-12-14-24(33-2)15-13-22)28-27(30)18-11-21-9-16-25(17-10-21)34(31,32)29-19-5-7-23-6-3-4-8-26(23)29/h3-4,6,8-10,12-17,20H,5,7,11,18-19H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyQWAKKSVFJDIDHJ-HXUWFJFHSA-N
MW478.61 g/mol
LogP4.65
Rot. Bonds8

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

3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 28557583) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID28557583
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-20(22-12-14-24(33-2)15-13-22)28-27(30)18-11-21-9-16-25(17-10-21)34(31,32)29-19-5-7-23-6-3-4-8-26(23)29/h3-4,6,8-10,12-17,20H,5,7,11,18-19H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyQWAKKSVFJDIDHJ-HXUWFJFHSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 28557580
N-[1-(4-chlorophenyl)ethyl]-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 43873922
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873374
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770223
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 100796296
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401935

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (CID 28557583) is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is QWAKKSVFJDIDHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-20(22-12-14-24(33-2)15-13-22)28-27(30)18-11-21-9-16-25(17-10-21)34(31,32)29-19-5-7-23-6-3-4-8-26(23)29/h3-4,6,8-10,12-17,20H,5,7,11,18-19H2,1-2H3,(H,28,30)/t20-/m1/s1.
What are the key properties of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 478.61 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 28557583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).