N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C24H30N4O4S — CID 55761895

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H30N4O4S/c1-17-20(33(30,31)27-12-8-9-13-27)14-19(32-17)23(29)25-22-15-21(24(2,3)4)26-28(22)16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16H2,1-4H3,(H,25,29)
InChIKeyFGIQYHBUNRCQEE-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.17
Rot. Bonds6

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55761895) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55761895
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H30N4O4S/c1-17-20(33(30,31)27-12-8-9-13-27)14-19(32-17)23(29)25-22-15-21(24(2,3)4)26-28(22)16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16H2,1-4H3,(H,25,29)
InChIKeyFGIQYHBUNRCQEE-UHFFFAOYSA-N
XLogP4.17
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55554934
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
(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-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112813566
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
CID 112835204
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47055156
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55761895) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is FGIQYHBUNRCQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-17-20(33(30,31)27-12-8-9-13-27)14-19(32-17)23(29)25-22-15-21(24(2,3)4)26-28(22)16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16H2,1-4H3,(H,25,29).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55761895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).