N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide

C17H20N2O4S — CID 94821670

IUPACN-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide
SMILESCC1(C)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-17(2)10-9-13(11-5-3-4-6-12(11)17)19-16(20)14-7-8-15(23-14)24(18,21)22/h3-8,13H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1
InChIKeyAZTBOYFSGKGPKJ-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.47
Rot. Bonds3

About N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide

N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide (PubChem CID 94821670) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide
PubChem CID94821670
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide
SMILESCC1(C)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-17(2)10-9-13(11-5-3-4-6-12(11)17)19-16(20)14-7-8-15(23-14)24(18,21)22/h3-8,13H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1
InChIKeyAZTBOYFSGKGPKJ-CYBMUJFWSA-N
XLogP2.47
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide (CID 94821670) is N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide is CC1(C)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc21.
What is the InChIKey of N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide?
The InChIKey is AZTBOYFSGKGPKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(2)10-9-13(11-5-3-4-6-12(11)17)19-16(20)14-7-8-15(23-14)24(18,21)22/h3-8,13H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide?
N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 94821670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).