(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C33H36F3N3O3S — CID 11387915

IUPAC(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C33H36F3N3O3S/c1-23(22-39-17-5-6-18-39)25-15-16-29-26(19-25)11-7-14-30(29)37-32(40)21-31(24-9-3-2-4-10-24)38-43(41,42)28-13-8-12-27(20-28)33(34,35)36/h2-4,8-10,12-13,15-16,19-20,30-31,38H,1,5-7,11,14,17-18,21-22H2,(H,37,40)/t30-,31-/m1/s1
InChIKeyGHBJXDOCTOUSIE-FIRIVFDPSA-N
MW611.73 g/mol
LogP6.42
Rot. Bonds10

About (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 11387915) has the molecular formula C33H36F3N3O3S and a molecular weight of 611.73 g/mol. Its IUPAC name is (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID11387915
Molecular FormulaC33H36F3N3O3S
Molecular Weight611.73 g/mol
Exact Mass611.24
IUPAC Name(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C33H36F3N3O3S/c1-23(22-39-17-5-6-18-39)25-15-16-29-26(19-25)11-7-14-30(29)37-32(40)21-31(24-9-3-2-4-10-24)38-43(41,42)28-13-8-12-27(20-28)33(34,35)36/h2-4,8-10,12-13,15-16,19-20,30-31,38H,1,5-7,11,14,17-18,21-22H2,(H,37,40)/t30-,31-/m1/s1
InChIKeyGHBJXDOCTOUSIE-FIRIVFDPSA-N
XLogP6.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.73
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1-(3-(trifluoromethyl)phenylsulfonyl)piperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 11215488
(R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 16108969
N-((R)-6-((cyclopropylmethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11203826
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(4-methyl-3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11204003
N-((R)-6-((isopropylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11214998
N-((R)-6-((isobutylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11215189
N-((R)-6-((cyclobutylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11238372
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11284458
N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11307733
N-((R)-6-((cyclopropylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11330286
(3R)-3-phenyl-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 11331054
(R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl)propanamide
CID 11342079

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 11387915) is (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is GHBJXDOCTOUSIE-FIRIVFDPSA-N. The full InChI is InChI=1S/C33H36F3N3O3S/c1-23(22-39-17-5-6-18-39)25-15-16-29-26(19-25)11-7-14-30(29)37-32(40)21-31(24-9-3-2-4-10-24)38-43(41,42)28-13-8-12-27(20-28)33(34,35)36/h2-4,8-10,12-13,15-16,19-20,30-31,38H,1,5-7,11,14,17-18,21-22H2,(H,37,40)/t30-,31-/m1/s1.
What are the key properties of (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 611.73 g/mol, XLogP of 6.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11387915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).