5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C20H20N2O4S — CID 78883946

IUPAC5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H20N2O4S/c1-14-19(27(24,25)22-10-4-5-11-22)13-18(26-14)20(23)21-17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,23)
InChIKeyDHGYLMFQJJFKSW-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.78
Rot. Bonds4

About 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 78883946) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID78883946
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H20N2O4S/c1-14-19(27(24,25)22-10-4-5-11-22)13-18(26-14)20(23)21-17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,23)
InChIKeyDHGYLMFQJJFKSW-UHFFFAOYSA-N
XLogP3.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 47045161
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
CID 112835204
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94829019

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 78883946) is 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is DHGYLMFQJJFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-19(27(24,25)22-10-4-5-11-22)13-18(26-14)20(23)21-17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,23).
What are the key properties of 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 78883946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).