N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C22H26N2O4S — CID 90535472

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(23-16-22(26,19-10-11-19)18-6-2-1-3-7-18)17-8-12-20(13-9-17)29(27,28)24-14-4-5-15-24/h1-3,6-9,12-13,19,26H,4-5,10-11,14-16H2,(H,23,25)
InChIKeySTMIXZKAIINQPD-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.50
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 90535472) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID90535472
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(23-16-22(26,19-10-11-19)18-6-2-1-3-7-18)17-8-12-20(13-9-17)29(27,28)24-14-4-5-15-24/h1-3,6-9,12-13,19,26H,4-5,10-11,14-16H2,(H,23,25)
InChIKeySTMIXZKAIINQPD-UHFFFAOYSA-N
XLogP2.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 95379451
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
CID 90535391
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
4-morpholin-4-ylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498022
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
4-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-nitrobenzamide
CID 90535442
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
CID 90499866

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 90535472) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCC(O)(c1ccccc1)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is STMIXZKAIINQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(23-16-22(26,19-10-11-19)18-6-2-1-3-7-18)17-8-12-20(13-9-17)29(27,28)24-14-4-5-15-24/h1-3,6-9,12-13,19,26H,4-5,10-11,14-16H2,(H,23,25).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 414.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90535472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).