N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide

C18H25NO5S2 — CID 9161431

IUPACN-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25NO5S2/c1-4-12-25(20,21)19-13-18(17-6-5-11-24-17)26(22,23)16-9-7-15(8-10-16)14(2)3/h5-11,14,18-19H,4,12-13H2,1-3H3/t18-/m1/s1
InChIKeyPZWMIGOPDGAQEI-GOSISDBHSA-N
MW399.53 g/mol
LogP3.25
Rot. Bonds9

About N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide

N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide (PubChem CID 9161431) has the molecular formula C18H25NO5S2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
PubChem CID9161431
Molecular FormulaC18H25NO5S2
Molecular Weight399.53 g/mol
Exact Mass399.12
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25NO5S2/c1-4-12-25(20,21)19-13-18(17-6-5-11-24-17)26(22,23)16-9-7-15(8-10-16)14(2)3/h5-11,14,18-19H,4,12-13H2,1-3H3/t18-/m1/s1
InChIKeyPZWMIGOPDGAQEI-GOSISDBHSA-N
XLogP3.25
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]pentanamide
CID 9161490
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
CID 9161691
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411
N'-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161759
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161752
methyl 3-[[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]sulfamoyl]propanoate
CID 9125346
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 9159185
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide (CID 9161431) is N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide?
The InChIKey is PZWMIGOPDGAQEI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25NO5S2/c1-4-12-25(20,21)19-13-18(17-6-5-11-24-17)26(22,23)16-9-7-15(8-10-16)14(2)3/h5-11,14,18-19H,4,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide?
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide has a molecular weight of 399.53 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide is sourced from PubChem (CID 9161431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).