N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

C28H32N2O3S — CID 68697202

IUPACN-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C28H32N2O3S/c1-19(31)30-23(15-20-7-3-2-4-8-20)25(32)18-29-24-17-28(12-6-13-28)33-26-11-10-21(16-22(24)26)27-9-5-14-34-27/h2-5,7-11,14,16,23-25,29,32H,6,12-13,15,17-18H2,1H3,(H,30,31)/t23-,24-,25-/m0/s1
InChIKeyAOBDEKHSFAMTIZ-SDHOMARFSA-N
MW476.64 g/mol
LogP4.86
Rot. Bonds8

About N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (PubChem CID 68697202) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
PubChem CID68697202
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C28H32N2O3S/c1-19(31)30-23(15-20-7-3-2-4-8-20)25(32)18-29-24-17-28(12-6-13-28)33-26-11-10-21(16-22(24)26)27-9-5-14-34-27/h2-5,7-11,14,16,23-25,29,32H,6,12-13,15,17-18H2,1H3,(H,30,31)/t23-,24-,25-/m0/s1
InChIKeyAOBDEKHSFAMTIZ-SDHOMARFSA-N
XLogP4.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide 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

N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 67304855
N-[(2S,3R)-4-[[(4S)-6-cyanospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 154299621
N-[(2S,3R)-4-[[(4S)-6-[(2R)-2-fluoropropyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 68698075
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 154298823
N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-[(2R)-oxolan-2-yl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]acetamide
CID 68696994
N-[(3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]acetamide
CID 25142531
N-[(2S,3S)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]acetamide
CID 67269749
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]propanamide
CID 16747233
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide
CID 154190970
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-(1-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 68695266
N-[(2S,3R)-1-(1-benzyltriazol-4-yl)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 67305637
N-[(2S,3S)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-1,2-oxazole-5-carboxamide
CID 90254860

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (CID 68697202) is N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(-c3cccs3)cc21.
What is the InChIKey of N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The InChIKey is AOBDEKHSFAMTIZ-SDHOMARFSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-19(31)30-23(15-20-7-3-2-4-8-20)25(32)18-29-24-17-28(12-6-13-28)33-26-11-10-21(16-22(24)26)27-9-5-14-34-27/h2-5,7-11,14,16,23-25,29,32H,6,12-13,15,17-18H2,1H3,(H,30,31)/t23-,24-,25-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide has a molecular weight of 476.64 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-thiophen-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 68697202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).