(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide

C23H27N3O4S — CID 59571004

IUPAC(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C1CC[C@H](C[C@@H](C(=O)Nc2ccn[nH]2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1
InChIInChI=1S/C23H27N3O4S/c27-17-5-1-14(11-17)12-20(23(28)25-22-9-10-24-26-22)16-4-8-21(19(13-16)15-2-3-15)31(29,30)18-6-7-18/h4,8-10,13-15,18,20H,1-3,5-7,11-12H2,(H2,24,25,26,28)/t14-,20+/m0/s1
InChIKeyVKUHMIWBXCZFOU-VBKZILBWSA-N
MW441.55 g/mol
LogP3.70
Rot. Bonds8

About (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide

(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 59571004) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide
PubChem CID59571004
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C1CC[C@H](C[C@@H](C(=O)Nc2ccn[nH]2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1
InChIInChI=1S/C23H27N3O4S/c27-17-5-1-14(11-17)12-20(23(28)25-22-9-10-24-26-22)16-4-8-21(19(13-16)15-2-3-15)31(29,30)18-6-7-18/h4,8-10,13-15,18,20H,1-3,5-7,11-12H2,(H2,24,25,26,28)/t14-,20+/m0/s1
InChIKeyVKUHMIWBXCZFOU-VBKZILBWSA-N
XLogP3.70
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide (CID 59571004) is (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide is O=C1CC[C@H](C[C@@H](C(=O)Nc2ccn[nH]2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)C1.
What is the InChIKey of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is VKUHMIWBXCZFOU-VBKZILBWSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-17-5-1-14(11-17)12-20(23(28)25-22-9-10-24-26-22)16-4-8-21(19(13-16)15-2-3-15)31(29,30)18-6-7-18/h4,8-10,13-15,18,20H,1-3,5-7,11-12H2,(H2,24,25,26,28)/t14-,20+/m0/s1.
What are the key properties of (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide?
(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 441.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 59571004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).