N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide

C27H38N2O4S — CID 167344799

IUPACN-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2ccc(C(C)C)c(=O)n2C1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H38N2O4S/c1-4-34(31,32)28-25-17-13-22-12-16-24(19(2)3)27(30)29(22)26(25)18-33-23-14-10-21(11-15-23)20-8-6-5-7-9-20/h5-9,12,16,19,21,23,25-26,28H,4,10-11,13-15,17-18H2,1-3H3
InChIKeyUQDZYCAAWBJOBC-UHFFFAOYSA-N
MW486.68 g/mol
LogP4.51
Rot. Bonds8

About N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide

N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide (PubChem CID 167344799) has the molecular formula C27H38N2O4S and a molecular weight of 486.68 g/mol. Its IUPAC name is N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
PubChem CID167344799
Molecular FormulaC27H38N2O4S
Molecular Weight486.68 g/mol
Exact Mass486.26
IUPAC NameN-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2ccc(C(C)C)c(=O)n2C1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H38N2O4S/c1-4-34(31,32)28-25-17-13-22-12-16-24(19(2)3)27(30)29(22)26(25)18-33-23-14-10-21(11-15-23)20-8-6-5-7-9-20/h5-9,12,16,19,21,23,25-26,28H,4,10-11,13-15,17-18H2,1-3H3
InChIKeyUQDZYCAAWBJOBC-UHFFFAOYSA-N
XLogP4.51
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858836
N-[7-methyl-4-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387826
N-[(3S,4R)-4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387781
N-[4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 167208245
N-[(3S,4R)-4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387787
N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167208393
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
N-[7-methyl-6-oxo-4-[(4-propoxycyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167208341
N-[(3S,4R)-7-methyl-6-oxo-4-[(4-propylcyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858786
7-(dimethylaminosulfanylamino)-3-methyl-6-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
CID 167208314
3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine
CID 167208657
N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167344763

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide (CID 167344799) is N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCc2ccc(C(C)C)c(=O)n2C1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide?
The InChIKey is UQDZYCAAWBJOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4S/c1-4-34(31,32)28-25-17-13-22-12-16-24(19(2)3)27(30)29(22)26(25)18-33-23-14-10-21(11-15-23)20-8-6-5-7-9-20/h5-9,12,16,19,21,23,25-26,28H,4,10-11,13-15,17-18H2,1-3H3.
What are the key properties of N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide?
N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide has a molecular weight of 486.68 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-4-[(4-phenylcyclohexyl)oxymethyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide is sourced from PubChem (CID 167344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).