5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

C20H23N5O4S — CID 47055156

IUPAC5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccccc2Cn2cncn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23N5O4S/c1-15-19(30(27,28)25-8-4-5-9-25)10-18(29-15)20(26)22-11-16-6-2-3-7-17(16)12-24-14-21-13-23-24/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,22,26)
InChIKeyLIUBVIKJJVNZQA-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.94
Rot. Bonds7

About 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 47055156) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID47055156
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccccc2Cn2cncn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23N5O4S/c1-15-19(30(27,28)25-8-4-5-9-25)10-18(29-15)20(26)22-11-16-6-2-3-7-17(16)12-24-14-21-13-23-24/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,22,26)
InChIKeyLIUBVIKJJVNZQA-UHFFFAOYSA-N
XLogP1.94
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990
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CID 94034180
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
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N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 126785335
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
(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
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 47055156) is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is Cc1oc(C(=O)NCc2ccccc2Cn2cncn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is LIUBVIKJJVNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-15-19(30(27,28)25-8-4-5-9-25)10-18(29-15)20(26)22-11-16-6-2-3-7-17(16)12-24-14-21-13-23-24/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,22,26).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 47055156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).