N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C24H29FN2O3S — CID 78853789

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H29FN2O3S/c25-21-12-10-19(11-13-21)14-17-27(22-7-1-2-8-22)24(28)20-6-5-9-23(18-20)31(29,30)26-15-3-4-16-26/h5-6,9-13,18,22H,1-4,7-8,14-17H2
InChIKeyQNLDDBYGJQLAID-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.24
Rot. Bonds7

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 78853789) has the molecular formula C24H29FN2O3S and a molecular weight of 444.57 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID78853789
Molecular FormulaC24H29FN2O3S
Molecular Weight444.57 g/mol
Exact Mass444.19
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C24H29FN2O3S/c25-21-12-10-19(11-13-21)14-17-27(22-7-1-2-8-22)24(28)20-6-5-9-23(18-20)31(29,30)26-15-3-4-16-26/h5-6,9-13,18,22H,1-4,7-8,14-17H2
InChIKeyQNLDDBYGJQLAID-UHFFFAOYSA-N
XLogP4.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55412191
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-(2-cyanoethyl)-N-(oxan-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 56534737
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 78853789) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QNLDDBYGJQLAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3S/c25-21-12-10-19(11-13-21)14-17-27(22-7-1-2-8-22)24(28)20-6-5-9-23(18-20)31(29,30)26-15-3-4-16-26/h5-6,9-13,18,22H,1-4,7-8,14-17H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 444.57 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78853789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).