N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide

C24H27NO4S — CID 9161587

IUPACN-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C24H27NO4S/c1-16(2)19-9-11-21(12-10-19)30(27,28)23(22-6-5-13-29-22)15-25-24(26)20-8-7-17(3)18(4)14-20/h5-14,16,23H,15H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyFHJLLAJTIPUIPQ-QHCPKHFHSA-N
MW425.55 g/mol
LogP4.96
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide

N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide (PubChem CID 9161587) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
PubChem CID9161587
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C24H27NO4S/c1-16(2)19-9-11-21(12-10-19)30(27,28)23(22-6-5-13-29-22)15-25-24(26)20-8-7-17(3)18(4)14-20/h5-14,16,23H,15H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyFHJLLAJTIPUIPQ-QHCPKHFHSA-N
XLogP4.96
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
CID 9161691
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]pentanamide
CID 9161490
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160739
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide (CID 9161587) is N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide?
The InChIKey is FHJLLAJTIPUIPQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-16(2)19-9-11-21(12-10-19)30(27,28)23(22-6-5-13-29-22)15-25-24(26)20-8-7-17(3)18(4)14-20/h5-14,16,23H,15H2,1-4H3,(H,25,26)/t23-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide?
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide has a molecular weight of 425.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9161587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).