(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

C24H28FN3O4S — CID 130409737

IUPAC(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1F)c1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O4S/c25-20-8-4-5-9-21(20)33(31,32)28-23(29)17-10-12-18(13-11-17)27-24(30)22-19(14-15-26-22)16-6-2-1-3-7-16/h4-5,8-13,16,19,22,26H,1-3,6-7,14-15H2,(H,27,30)(H,28,29)/t19?,22-/m0/s1
InChIKeyOXPZXWRZQUCQAA-BPARTEKVSA-N
MW473.57 g/mol
LogP3.44
Rot. Bonds6

About (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 130409737) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID130409737
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1F)c1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O4S/c25-20-8-4-5-9-21(20)33(31,32)28-23(29)17-10-12-18(13-11-17)27-24(30)22-19(14-15-26-22)16-6-2-1-3-7-16/h4-5,8-13,16,19,22,26H,1-3,6-7,14-15H2,(H,27,30)(H,28,29)/t19?,22-/m0/s1
InChIKeyOXPZXWRZQUCQAA-BPARTEKVSA-N
XLogP3.44
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-cyclohexyl-N-[4-(pyridin-2-ylsulfonylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153322033
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 118088824
(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 130409697
methyl 4-[[(2S,3R)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-3-fluorobenzoate
CID 118100849
(2S,3S)-3-cyclohexyl-N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118088823
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
CID 55941605
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
(2S)-3-cyclohexyl-N-(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)pyrrolidine-2-carboxamide
CID 126493482
N-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylcarbamoyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 67937875
N-(3-fluoro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893200

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide (CID 130409737) is (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1F)c1ccc(NC(=O)[C@H]2NCCC2C2CCCCC2)cc1.
What is the InChIKey of (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is OXPZXWRZQUCQAA-BPARTEKVSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c25-20-8-4-5-9-21(20)33(31,32)28-23(29)17-10-12-18(13-11-17)27-24(30)22-19(14-15-26-22)16-6-2-1-3-7-16/h4-5,8-13,16,19,22,26H,1-3,6-7,14-15H2,(H,27,30)(H,28,29)/t19?,22-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide?
(2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-N-[4-[(2-fluorophenyl)sulfonylcarbamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 130409737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).