(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide

C25H27NO5S — CID 11641035

IUPAC(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide
SMILESO=C(C[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CO)ccc21
InChIInChI=1S/C25H27NO5S/c27-15-17-8-11-23-20(12-17)6-3-7-24(23)26-25(29)14-21(28)16-32(30,31)22-10-9-18-4-1-2-5-19(18)13-22/h1-2,4-5,8-13,21,24,27-28H,3,6-7,14-16H2,(H,26,29)/t21-,24+/m0/s1
InChIKeyULXFPVCYQOXVIP-XUZZJYLKSA-N
MW453.56 g/mol
LogP3.05
Rot. Bonds7

About (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide

(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide (PubChem CID 11641035) has the molecular formula C25H27NO5S and a molecular weight of 453.56 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide
PubChem CID11641035
Molecular FormulaC25H27NO5S
Molecular Weight453.56 g/mol
Exact Mass453.16
IUPAC Name(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide
SMILESO=C(C[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CO)ccc21
InChIInChI=1S/C25H27NO5S/c27-15-17-8-11-23-20(12-17)6-3-7-24(23)26-25(29)14-21(28)16-32(30,31)22-10-9-18-4-1-2-5-19(18)13-22/h1-2,4-5,8-13,21,24,27-28H,3,6-7,14-16H2,(H,26,29)/t21-,24+/m0/s1
InChIKeyULXFPVCYQOXVIP-XUZZJYLKSA-N
XLogP3.05
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide
CID 11720379
(3S)-3-methyl-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 11678009
4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide
CID 73032171
3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 58646001
(2R)-2-hydroxy-3,3-dimethyl-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 11570254
N-[5-(aminomethyl)-2,3-dihydro-1H-inden-1-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68928983
methyl (2R)-2-naphthalen-2-ylsulfonyl-5-oxo-5-[[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentanoate
CID 11541377
(3R)-4-naphthalen-2-ylsulfonyl-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 11497939
(3S)-N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 11664296
N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68926906
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide?
The IUPAC name of (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide (CID 11641035) is (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide is O=C(C[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CO)ccc21.
What is the InChIKey of (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide?
The InChIKey is ULXFPVCYQOXVIP-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H27NO5S/c27-15-17-8-11-23-20(12-17)6-3-7-24(23)26-25(29)14-21(28)16-32(30,31)22-10-9-18-4-1-2-5-19(18)13-22/h1-2,4-5,8-13,21,24,27-28H,3,6-7,14-16H2,(H,26,29)/t21-,24+/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide?
(3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide has a molecular weight of 453.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(1R)-6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-naphthalen-2-ylsulfonylbutanamide is sourced from PubChem (CID 11641035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).