5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide

C17H20N2O4S — CID 97222498

IUPAC5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-11-9-15(14-6-4-3-5-13(11)14)19-17(20)16-8-7-12(23-16)10-18-24(2,21)22/h3-8,11,15,18H,9-10H2,1-2H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyZFUZVPRCRXGUGM-ABAIWWIYSA-N
MW348.42 g/mol
LogP2.31
Rot. Bonds5

About 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide

5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide (PubChem CID 97222498) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
PubChem CID97222498
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-11-9-15(14-6-4-3-5-13(11)14)19-17(20)16-8-7-12(23-16)10-18-24(2,21)22/h3-8,11,15,18H,9-10H2,1-2H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyZFUZVPRCRXGUGM-ABAIWWIYSA-N
XLogP2.31
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide?
The IUPAC name of 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide (CID 97222498) is 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide is C[C@@H]1C[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc21.
What is the InChIKey of 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide?
The InChIKey is ZFUZVPRCRXGUGM-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-9-15(14-6-4-3-5-13(11)14)19-17(20)16-8-7-12(23-16)10-18-24(2,21)22/h3-8,11,15,18H,9-10H2,1-2H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide?
5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide is sourced from PubChem (CID 97222498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).