(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide

C34H37N3O3S — CID 11342079

IUPAC(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
InChIKeyKWUDOKOIFMMBSB-JHOUSYSJSA-N
MW567.76 g/mol
LogP6.04
Rot. Bonds9

About (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide

(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 11342079) has the molecular formula C34H37N3O3S and a molecular weight of 567.76 g/mol. Its IUPAC name is (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID11342079
Molecular FormulaC34H37N3O3S
Molecular Weight567.76 g/mol
Exact Mass567.26
IUPAC Name(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
InChIKeyKWUDOKOIFMMBSB-JHOUSYSJSA-N
XLogP6.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(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-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(4-methyl-3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11204003
(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
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-tosylpiperidin-2-yl)acetamide
CID 11420875
(R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 11467345
(S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methyl-2-(naphthalene-2-sulfonylamino)-propionamide
CID 11754250
2-[(S)-1-(biphenyl-4-sulfonyl)-piperidin-2-yl]-N-[(R)-6-(tert-butylamino-methyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-acetamide
CID 44410179
N-((R)-6-((dimethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 44410328
(3R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-(6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 44419045
4-(naphthalen-2-ylsulfonyl)-3-phenyl-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 44561786
(R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide
CID 46911684

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide (CID 11342079) is (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide is O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is KWUDOKOIFMMBSB-JHOUSYSJSA-N. The full InChI is InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1.
What are the key properties of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 567.76 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 11342079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).