5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide

C20H27NO4S — CID 26362090

IUPAC5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
SMILESCC(C)CCC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H27NO4S/c1-15(2)8-7-9-16(3)21-20(22)19-13-12-17(25-19)14-26(23,24)18-10-5-4-6-11-18/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyFFSXHALWWMHTRY-MRXNPFEDSA-N
MW377.51 g/mol
LogP4.20
Rot. Bonds9

About 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide (PubChem CID 26362090) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
PubChem CID26362090
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
SMILESCC(C)CCC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H27NO4S/c1-15(2)8-7-9-16(3)21-20(22)19-13-12-17(25-19)14-26(23,24)18-10-5-4-6-11-18/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyFFSXHALWWMHTRY-MRXNPFEDSA-N
XLogP4.20
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
CID 51157629
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide (CID 26362090) is 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide is CC(C)CCC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide?
The InChIKey is FFSXHALWWMHTRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-15(2)8-7-9-16(3)21-20(22)19-13-12-17(25-19)14-26(23,24)18-10-5-4-6-11-18/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26362090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).