N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide

C16H20N2O4S — CID 113066628

IUPACN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
SMILESCc1ccccc1CN(CCNC(=O)c1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-13-6-3-4-7-14(13)12-18(23(2,20)21)10-9-17-16(19)15-8-5-11-22-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyWYKKXAIYUVLMHA-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.78
Rot. Bonds7

About N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide

N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide (PubChem CID 113066628) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
PubChem CID113066628
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
SMILESCc1ccccc1CN(CCNC(=O)c1ccco1)S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-13-6-3-4-7-14(13)12-18(23(2,20)21)10-9-17-16(19)15-8-5-11-22-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyWYKKXAIYUVLMHA-UHFFFAOYSA-N
XLogP1.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113067658
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide (CID 113066628) is N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide is Cc1ccccc1CN(CCNC(=O)c1ccco1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide?
The InChIKey is WYKKXAIYUVLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-13-6-3-4-7-14(13)12-18(23(2,20)21)10-9-17-16(19)15-8-5-11-22-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide?
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 113066628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).