4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

C23H26N4O4S — CID 25434050

IUPAC4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H26N4O4S/c1-17(18-8-4-3-5-9-18)27-22(12-13-24-27)25-23(28)19-10-11-20(31-2)21(16-19)32(29,30)26-14-6-7-15-26/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyBAWUZAHHSNQOOU-QGZVFWFLSA-N
MW454.55 g/mol
LogP3.54
Rot. Bonds7

About 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 25434050) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID25434050
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H26N4O4S/c1-17(18-8-4-3-5-9-18)27-22(12-13-24-27)25-23(28)19-10-11-20(31-2)21(16-19)32(29,30)26-14-6-7-15-26/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyBAWUZAHHSNQOOU-QGZVFWFLSA-N
XLogP3.54
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183451
4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2634004
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35028668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 25434050) is 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BAWUZAHHSNQOOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17(18-8-4-3-5-9-18)27-22(12-13-24-27)25-23(28)19-10-11-20(31-2)21(16-19)32(29,30)26-14-6-7-15-26/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25434050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).