N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide

C15H15NO5S — CID 34360301

IUPACN-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)c1ccco1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17)/t15-/m0/s1
InChIKeyPTGWXKNOZHCPFN-HNNXBMFYSA-N
MW321.35 g/mol
LogP1.71
Rot. Bonds5

About N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide

N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide (PubChem CID 34360301) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
PubChem CID34360301
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)c1ccco1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17)/t15-/m0/s1
InChIKeyPTGWXKNOZHCPFN-HNNXBMFYSA-N
XLogP1.71
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-thiophen-2-ylethyl]acetamide
CID 44615102
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
N-[(1R)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 42558371
N-[(1R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173533
3-(4-chlorophenyl)-1-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 3133583
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
CID 99823433
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide?
The IUPAC name of N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide (CID 34360301) is N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide is CC(=O)N[C@H](C(=O)c1ccco1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide?
The InChIKey is PTGWXKNOZHCPFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-5-7-12(8-6-10)22(19,20)15(16-11(2)17)14(18)13-4-3-9-21-13/h3-9,15H,1-2H3,(H,16,17)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide?
N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide has a molecular weight of 321.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide is sourced from PubChem (CID 34360301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).