N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

C20H25NO4S — CID 4521270

IUPACN-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N(C)C2CCCCC2)o1
InChIInChI=1S/C20H25NO4S/c1-15-8-6-7-11-19(15)26(23,24)14-17-12-13-18(25-17)20(22)21(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10,14H2,1-2H3
InChIKeyDYSCXZIPVYTWMP-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.97
Rot. Bonds5

About N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 4521270) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID4521270
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N(C)C2CCCCC2)o1
InChIInChI=1S/C20H25NO4S/c1-15-8-6-7-11-19(15)26(23,24)14-17-12-13-18(25-17)20(22)21(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10,14H2,1-2H3
InChIKeyDYSCXZIPVYTWMP-UHFFFAOYSA-N
XLogP3.97
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 4521270) is N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N(C)C2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is DYSCXZIPVYTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-8-6-7-11-19(15)26(23,24)14-17-12-13-18(25-17)20(22)21(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10,14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 4521270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).