N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide

C20H21NO5S2 — CID 124727836

IUPACN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO5S2/c1-28(24,25)17-7-4-15(5-8-17)6-9-19(22)21-14-20(23,16-10-12-27-13-16)18-3-2-11-26-18/h2-5,7-8,10-13,23H,6,9,14H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyUMVKTDNKRFVPPH-HXUWFJFHSA-N
MW419.52 g/mol
LogP2.73
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 124727836) has the molecular formula C20H21NO5S2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID124727836
Molecular FormulaC20H21NO5S2
Molecular Weight419.52 g/mol
Exact Mass419.09
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO5S2/c1-28(24,25)17-7-4-15(5-8-17)6-9-19(22)21-14-20(23,16-10-12-27-13-16)18-3-2-11-26-18/h2-5,7-8,10-13,23H,6,9,14H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyUMVKTDNKRFVPPH-HXUWFJFHSA-N
XLogP2.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]pyridine-3-sulfonamide
CID 126850772

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 124727836) is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(CCC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is UMVKTDNKRFVPPH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO5S2/c1-28(24,25)17-7-4-15(5-8-17)6-9-19(22)21-14-20(23,16-10-12-27-13-16)18-3-2-11-26-18/h2-5,7-8,10-13,23H,6,9,14H2,1H3,(H,21,22)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 419.52 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 124727836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).