N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide

C17H20ClNO4S — CID 7268165

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO4S/c1-17(2,3)16(20)19-11-15(14-5-4-10-23-14)24(21,22)13-8-6-12(18)7-9-13/h4-10,15H,11H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyYBXOHBCLSAEFQI-HNNXBMFYSA-N
MW369.87 g/mol
LogP3.61
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 7268165) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID7268165
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO4S/c1-17(2,3)16(20)19-11-15(14-5-4-10-23-14)24(21,22)13-8-6-12(18)7-9-13/h4-10,15H,11H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyYBXOHBCLSAEFQI-HNNXBMFYSA-N
XLogP3.61
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160739
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160245
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
N'-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 18574088
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 40774983
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]acetamide
CID 40774896
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 26842848
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide (CID 7268165) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is YBXOHBCLSAEFQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-17(2,3)16(20)19-11-15(14-5-4-10-23-14)24(21,22)13-8-6-12(18)7-9-13/h4-10,15H,11H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 369.87 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7268165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).