N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

C19H23NO4S — CID 7267957

IUPACN-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H23NO4S/c21-19(15-8-3-1-4-9-15)20-14-18(17-12-7-13-24-17)25(22,23)16-10-5-2-6-11-16/h2,5-7,10-13,15,18H,1,3-4,8-9,14H2,(H,20,21)/t18-/m1/s1
InChIKeyOIKNZVUBZZFZJS-GOSISDBHSA-N
MW361.46 g/mol
LogP3.49
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 7267957) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID7267957
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H23NO4S/c21-19(15-8-3-1-4-9-15)20-14-18(17-12-7-13-24-17)25(22,23)16-10-5-2-6-11-16/h2,5-7,10-13,15,18H,1,3-4,8-9,14H2,(H,20,21)/t18-/m1/s1
InChIKeyOIKNZVUBZZFZJS-GOSISDBHSA-N
XLogP3.49
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9160257
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (CID 7267957) is N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is OIKNZVUBZZFZJS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO4S/c21-19(15-8-3-1-4-9-15)20-14-18(17-12-7-13-24-17)25(22,23)16-10-5-2-6-11-16/h2,5-7,10-13,15,18H,1,3-4,8-9,14H2,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7267957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).