N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C21H24N4O4S — CID 47044975

IUPACN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N4O4S/c1-16-20(30(27,28)24-10-6-7-11-24)12-19(29-16)21(26)23(2)14-17-13-22-25(15-17)18-8-4-3-5-9-18/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3
InChIKeyUOGFYPQGRCWNOP-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.83
Rot. Bonds6

About N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 47044975) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID47044975
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N4O4S/c1-16-20(30(27,28)24-10-6-7-11-24)12-19(29-16)21(26)23(2)14-17-13-22-25(15-17)18-8-4-3-5-9-18/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3
InChIKeyUOGFYPQGRCWNOP-UHFFFAOYSA-N
XLogP2.83
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608
4-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17497833
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 47044975) is N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is UOGFYPQGRCWNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-16-20(30(27,28)24-10-6-7-11-24)12-19(29-16)21(26)23(2)14-17-13-22-25(15-17)18-8-4-3-5-9-18/h3-5,8-9,12-13,15H,6-7,10-11,14H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 47044975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).