[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C20H27N5O5S — CID 154616396

IUPAC[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(N)(=O)=O)n[nH]2)C1
InChIInChI=1S/C20H27N5O5S/c1-2-9-22-20(27)30-15-8-7-13(10-15)16-12-18(25-24-16)23-19(26)11-14-5-3-4-6-17(14)31(21,28)29/h3-6,12-13,15H,2,7-11H2,1H3,(H,22,27)(H2,21,28,29)(H2,23,24,25,26)/t13-,15+/m0/s1
InChIKeyRNDRDRHSXLQEGC-DZGCQCFKSA-N
MW449.53 g/mol
LogP2.01
Rot. Bonds8

About [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616396) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID154616396
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(N)(=O)=O)n[nH]2)C1
InChIInChI=1S/C20H27N5O5S/c1-2-9-22-20(27)30-15-8-7-13(10-15)16-12-18(25-24-16)23-19(26)11-14-5-3-4-6-17(14)31(21,28)29/h3-6,12-13,15H,2,7-11H2,1H3,(H,22,27)(H2,21,28,29)(H2,23,24,25,26)/t13-,15+/m0/s1
InChIKeyRNDRDRHSXLQEGC-DZGCQCFKSA-N
XLogP2.01
TPSA156.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,3S)-3-[3-[[2-[2-(methylsulfamoyl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616643
[3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025480
[3-[3-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025436
[3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025557
[3-[3-[(2-methylpyridine-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025402
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616734
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 154616812
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025584
[(1R,3S)-3-[3-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616767

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616396) is [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(N)(=O)=O)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is RNDRDRHSXLQEGC-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-2-9-22-20(27)30-15-8-7-13(10-15)16-12-18(25-24-16)23-19(26)11-14-5-3-4-6-17(14)31(21,28)29/h3-6,12-13,15H,2,7-11H2,1H3,(H,22,27)(H2,21,28,29)(H2,23,24,25,26)/t13-,15+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 449.53 g/mol, XLogP of 2.01, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).