N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide

C17H21NO4S — CID 95615306

IUPACN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCc1cc(C)cc([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)o2)c1
InChIInChI=1S/C17H21NO4S/c1-11-7-12(2)9-14(8-11)13(3)18-17(19)16-6-5-15(22-16)10-23(4,20)21/h5-9,13H,10H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyVWTKODYPDPSRPF-CYBMUJFWSA-N
MW335.43 g/mol
LogP2.93
Rot. Bonds5

About N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide

N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide (PubChem CID 95615306) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
PubChem CID95615306
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCc1cc(C)cc([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)o2)c1
InChIInChI=1S/C17H21NO4S/c1-11-7-12(2)9-14(8-11)13(3)18-17(19)16-6-5-15(22-16)10-23(4,20)21/h5-9,13H,10H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyVWTKODYPDPSRPF-CYBMUJFWSA-N
XLogP2.93
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.93
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
(2R)-2-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119366856
N-(1-aminohexan-2-yl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119665668
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 146124997
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466583

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide (CID 95615306) is N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide is Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)o2)c1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The InChIKey is VWTKODYPDPSRPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11-7-12(2)9-14(8-11)13(3)18-17(19)16-6-5-15(22-16)10-23(4,20)21/h5-9,13H,10H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide is sourced from PubChem (CID 95615306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).