(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide

C30H37Cl2FN4O4S — CID 67377241

IUPAC(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide
SMILESCC(C)(C)C[C@@H]1CN[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)N(C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc12
InChIInChI=1S/C30H37Cl2FN4O4S/c1-29(2,3)15-19-17-34-26(21-6-5-7-23(32)25(21)33)30(19)22-9-8-20(31)14-24(22)37(27(30)38)28(39)35-16-18-10-12-36(13-11-18)42(4,40)41/h5-9,14,18-19,26,34H,10-13,15-17H2,1-4H3,(H,35,39)/t19-,26-,30-/m1/s1
InChIKeyVQIAYCLWSLRKIM-UQKGSUGDSA-N
MW639.62 g/mol
LogP5.49
Rot. Bonds5

About (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide

(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide (PubChem CID 67377241) has the molecular formula C30H37Cl2FN4O4S and a molecular weight of 639.62 g/mol. Its IUPAC name is (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide.

Molecular Properties

Compound Name(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide
PubChem CID67377241
Molecular FormulaC30H37Cl2FN4O4S
Molecular Weight639.62 g/mol
Exact Mass638.19
IUPAC Name(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide
SMILESCC(C)(C)C[C@@H]1CN[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)N(C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc12
InChIInChI=1S/C30H37Cl2FN4O4S/c1-29(2,3)15-19-17-34-26(21-6-5-7-23(32)25(21)33)30(19)22-9-8-20(31)14-24(22)37(27(30)38)28(39)35-16-18-10-12-36(13-11-18)42(4,40)41/h5-9,14,18-19,26,34H,10-13,15-17H2,1-4H3,(H,35,39)/t19-,26-,30-/m1/s1
InChIKeyVQIAYCLWSLRKIM-UQKGSUGDSA-N
XLogP5.49
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.62
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide 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

(2'R,3S,4'R)-6-chloro-2'-(3-chloro-2-fluorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-4'-(2,2-dimethylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide
CID 67377208
(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-4'-(4-hydroxy-2,2-dimethylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide
CID 67375844
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 75631467
(2'S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(3-hydroxy-2,2-dimethylpropyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 67338070
(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-4-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 58222861
(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-1-carboxamide
CID 51356969
(2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 58398994
1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 51130150
3-[2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidin-1-yl]propanoic acid
CID 75631950
3-[[(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 51354449
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-4-(2,2-dimethylpropyl)-1-[(6-oxo-2,3-dihydro-1H-pyridin-3-yl)sulfonyl]pyrrolidine-3-carbonitrile
CID 67115111
methyl 4-[[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-4-methylpyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 123462339

Frequently Asked Questions

What is the IUPAC name of (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide?
The IUPAC name of (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide (CID 67377241) is (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide.
What is the SMILES notation for (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide?
The canonical SMILES for (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide is CC(C)(C)C[C@@H]1CN[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)N(C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc12.
What is the InChIKey of (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide?
The InChIKey is VQIAYCLWSLRKIM-UQKGSUGDSA-N. The full InChI is InChI=1S/C30H37Cl2FN4O4S/c1-29(2,3)15-19-17-34-26(21-6-5-7-23(32)25(21)33)30(19)22-9-8-20(31)14-24(22)37(27(30)38)28(39)35-16-18-10-12-36(13-11-18)42(4,40)41/h5-9,14,18-19,26,34H,10-13,15-17H2,1-4H3,(H,35,39)/t19-,26-,30-/m1/s1.
What are the key properties of (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide?
(2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide has a molecular weight of 639.62 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-carboxamide is sourced from PubChem (CID 67377241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).