N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide

C16H20N2O4S — CID 96528827

IUPACN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C16H20N2O4S/c1-10-9-11(2)22-15(10)16(19)17-12(3)13-7-5-6-8-14(13)18-23(4,20)21/h5-9,12,18H,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyPMTBNOKTJPNTCF-LBPRGKRZSA-N
MW336.41 g/mol
LogP2.76
Rot. Bonds5

About N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide

N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 96528827) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
PubChem CID96528827
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C16H20N2O4S/c1-10-9-11(2)22-15(10)16(19)17-12(3)13-7-5-6-8-14(13)18-23(4,20)21/h5-9,12,18H,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyPMTBNOKTJPNTCF-LBPRGKRZSA-N
XLogP2.76
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide (CID 96528827) is N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)o1.
What is the InChIKey of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is PMTBNOKTJPNTCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-9-11(2)22-15(10)16(19)17-12(3)13-7-5-6-8-14(13)18-23(4,20)21/h5-9,12,18H,1-4H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide?
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 96528827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).