5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide

C14H22N2O4S — CID 122557042

IUPAC5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNS(=O)(=O)CC2CCCC2)o1
InChIInChI=1S/C14H22N2O4S/c1-16(2)14(17)13-8-7-12(20-13)9-15-21(18,19)10-11-5-3-4-6-11/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyHFQBHJCCXYPYQT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.59
Rot. Bonds6

About 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide

5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide (PubChem CID 122557042) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide
PubChem CID122557042
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNS(=O)(=O)CC2CCCC2)o1
InChIInChI=1S/C14H22N2O4S/c1-16(2)14(17)13-8-7-12(20-13)9-15-21(18,19)10-11-5-3-4-6-11/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyHFQBHJCCXYPYQT-UHFFFAOYSA-N
XLogP1.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
CID 125166646
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
(3S)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125176530
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56899649
3-[4-[(cyclopropylmethylsulfonylamino)methyl]phenyl]prop-2-enoic acid
CID 77052504
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide (CID 122557042) is 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide is CN(C)C(=O)c1ccc(CNS(=O)(=O)CC2CCCC2)o1.
What is the InChIKey of 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide?
The InChIKey is HFQBHJCCXYPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(2)14(17)13-8-7-12(20-13)9-15-21(18,19)10-11-5-3-4-6-11/h7-8,11,15H,3-6,9-10H2,1-2H3.
What are the key properties of 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide?
5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 122557042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).