N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C21H24N4O3S2 — CID 32623057

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N4O3S2/c1-23(14-18-13-22-24(16-18)15-17-7-3-2-4-8-17)21(26)20-19(9-12-29-20)30(27,28)25-10-5-6-11-25/h2-4,7-9,12-13,16H,5-6,10-11,14-15H2,1H3
InChIKeyRRVLZKUTPMHYRV-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.05
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 32623057) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID32623057
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N4O3S2/c1-23(14-18-13-22-24(16-18)15-17-7-3-2-4-8-17)21(26)20-19(9-12-29-20)30(27,28)25-10-5-6-11-25/h2-4,7-9,12-13,16H,5-6,10-11,14-15H2,1H3
InChIKeyRRVLZKUTPMHYRV-UHFFFAOYSA-N
XLogP3.05
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 26009926
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55549165
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78832925
4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 32623057) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is RRVLZKUTPMHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-23(14-18-13-22-24(16-18)15-17-7-3-2-4-8-17)21(26)20-19(9-12-29-20)30(27,28)25-10-5-6-11-25/h2-4,7-9,12-13,16H,5-6,10-11,14-15H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 32623057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).