N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C18H20N2O5S — CID 94829019

IUPACN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N[C@H]2COc3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20N2O5S/c1-12-17(26(22,23)20-8-4-5-9-20)10-16(25-12)18(21)19-14-11-24-15-7-3-2-6-13(14)15/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeySVOLMPKKLQXUNA-AWEZNQCLSA-N
MW376.43 g/mol
LogP2.24
Rot. Bonds4

About N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 94829019) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID94829019
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N[C@H]2COc3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20N2O5S/c1-12-17(26(22,23)20-8-4-5-9-20)10-16(25-12)18(21)19-14-11-24-15-7-3-2-6-13(14)15/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeySVOLMPKKLQXUNA-AWEZNQCLSA-N
XLogP2.24
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 86868736
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 94829019) is N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)N[C@H]2COc3ccccc32)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is SVOLMPKKLQXUNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-17(26(22,23)20-8-4-5-9-20)10-16(25-12)18(21)19-14-11-24-15-7-3-2-6-13(14)15/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 94829019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).