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

C18H19N5O4S — CID 112835204

IUPAC5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccccc2-n2ccnn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19N5O4S/c1-13-17(28(25,26)22-9-4-5-10-22)12-16(27-13)18(24)20-14-6-2-3-7-15(14)23-11-8-19-21-23/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,20,24)
InChIKeyHUSWTJDOWYNJRG-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.21
Rot. Bonds5

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

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 112835204) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID112835204
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccccc2-n2ccnn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19N5O4S/c1-13-17(28(25,26)22-9-4-5-10-22)12-16(27-13)18(24)20-14-6-2-3-7-15(14)23-11-8-19-21-23/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,20,24)
InChIKeyHUSWTJDOWYNJRG-UHFFFAOYSA-N
XLogP2.21
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 47045161
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895
N-(4-butoxy-2-methylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55973655
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55776523
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835248

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide (CID 112835204) is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide is Cc1oc(C(=O)Nc2ccccc2-n2ccnn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is HUSWTJDOWYNJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-13-17(28(25,26)22-9-4-5-10-22)12-16(27-13)18(24)20-14-6-2-3-7-15(14)23-11-8-19-21-23/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H,20,24).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide?
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 2.21, 5 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-(triazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 112835204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).