N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C19H23N3O4S — CID 126785335

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccc3c(c2)CNC3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H23N3O4S/c1-13-18(27(24,25)22-6-2-3-7-22)9-17(26-13)19(23)21-10-14-4-5-15-11-20-12-16(15)8-14/h4-5,8-9,20H,2-3,6-7,10-12H2,1H3,(H,21,23)
InChIKeyNOFIFMZFGYQASN-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.91
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 126785335) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID126785335
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccc3c(c2)CNC3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H23N3O4S/c1-13-18(27(24,25)22-6-2-3-7-22)9-17(26-13)19(23)21-10-14-4-5-15-11-20-12-16(15)8-14/h4-5,8-9,20H,2-3,6-7,10-12H2,1H3,(H,21,23)
InChIKeyNOFIFMZFGYQASN-UHFFFAOYSA-N
XLogP1.91
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760837
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47055156
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 126785335) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)NCc2ccc3c(c2)CNC3)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is NOFIFMZFGYQASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-18(27(24,25)22-6-2-3-7-22)9-17(26-13)19(23)21-10-14-4-5-15-11-20-12-16(15)8-14/h4-5,8-9,20H,2-3,6-7,10-12H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 126785335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).