(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide

C26H31F2N3O5S — CID 67435046

IUPAC(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide
SMILESCC1(C)OC[C@@H](c2cnc(NC(=O)[C@H](CC3C[C@@H](F)[C@@H](F)C3)c3ccc(S(=O)(=O)C4CC4)cc3)cn2)O1
InChIInChI=1S/C26H31F2N3O5S/c1-26(2)35-14-23(36-26)22-12-30-24(13-29-22)31-25(32)19(9-15-10-20(27)21(28)11-15)16-3-5-17(6-4-16)37(33,34)18-7-8-18/h3-6,12-13,15,18-21,23H,7-11,14H2,1-2H3,(H,30,31,32)/t15?,19-,20-,21+,23+/m1/s1
InChIKeySSJROBFTBSQTDZ-FGWRPSTBSA-N
MW535.61 g/mol
LogP4.44
Rot. Bonds8

About (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide

(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide (PubChem CID 67435046) has the molecular formula C26H31F2N3O5S and a molecular weight of 535.61 g/mol. Its IUPAC name is (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide
PubChem CID67435046
Molecular FormulaC26H31F2N3O5S
Molecular Weight535.61 g/mol
Exact Mass535.20
IUPAC Name(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide
SMILESCC1(C)OC[C@@H](c2cnc(NC(=O)[C@H](CC3C[C@@H](F)[C@@H](F)C3)c3ccc(S(=O)(=O)C4CC4)cc3)cn2)O1
InChIInChI=1S/C26H31F2N3O5S/c1-26(2)35-14-23(36-26)22-12-30-24(13-29-22)31-25(32)19(9-15-10-20(27)21(28)11-15)16-3-5-17(6-4-16)37(33,34)18-7-8-18/h3-6,12-13,15,18-21,23H,7-11,14H2,1-2H3,(H,30,31,32)/t15?,19-,20-,21+,23+/m1/s1
InChIKeySSJROBFTBSQTDZ-FGWRPSTBSA-N
XLogP4.44
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]prop-2-enamide
CID 67252439
(2R)-N-(5-cyclopropyl-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]propanamide
CID 67435584
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-methyl-2H-1,3-thiazol-5-yl)propanamide
CID 67433975
(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
CID 138556681
ethyl 2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]propanoate
CID 59285460
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
CID 21093931
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-morpholin-4-yl-2H-1,3-thiazol-5-yl)propanamide
CID 67435360
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 58860827
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(5-ethylpyrazin-2-yl)prop-2-enamide
CID 123514560

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide?
The IUPAC name of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide (CID 67435046) is (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide?
The canonical SMILES for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide is CC1(C)OC[C@@H](c2cnc(NC(=O)[C@H](CC3C[C@@H](F)[C@@H](F)C3)c3ccc(S(=O)(=O)C4CC4)cc3)cn2)O1.
What is the InChIKey of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide?
The InChIKey is SSJROBFTBSQTDZ-FGWRPSTBSA-N. The full InChI is InChI=1S/C26H31F2N3O5S/c1-26(2)35-14-23(36-26)22-12-30-24(13-29-22)31-25(32)19(9-15-10-20(27)21(28)11-15)16-3-5-17(6-4-16)37(33,34)18-7-8-18/h3-6,12-13,15,18-21,23H,7-11,14H2,1-2H3,(H,30,31,32)/t15?,19-,20-,21+,23+/m1/s1.
What are the key properties of (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide?
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide has a molecular weight of 535.61 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 67435046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).